(3-((6-Chloropyridin-3-yl)methyl)-1,3-thiazolidin-2-ylidene)cyanamide
[3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide
Molecular Identity
(3-((6-Chloropyridin-3-yl)methyl)-1,3-thiazolidin-2-ylidene)cyanamide
[3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide
PubChem CID: 115224
Thiacloprid is a nitrile that is cyanamide in which the hydrogens are replaced by a 1,3-thiazolidin-2-ylidene group which in turn is substituted by a (6-chloropyridin-3-yl)methyl group at the ring nitrogen. It has a role as a neonicotinoid insectide, a xenobiotic and an environmental contaminant. It is a nitrile, a member of thiazolidines and a monochloropyridine. It is functionally related to a cyanamide and a 2-chloropyridine.
2D Structure
Properties
C10H9ClN4S
Molecular Formula
252.72
Molecular Weight
g/mol
252.0236
Exact Mass
Da
2.2
XLogP
Drug-like (Lipinski: < 5)
77.6
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
4
H-Bond Acceptors
324
Complexity
SMILES
Canonical SMILES
SMILES: C1CSC(=NC#N)N1CC2=CN=C(C=C2)ClIsomeric SMILES
SMILES: C1CSC(=NC#N)N1CC2=CN=C(C=C2)ClSynonyms(20)
[3-[(6-chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene]cyanamideDTXSID60861210{3-[(6-chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene}cyanamide(3-((6-chloropyridin-3-yl)methyl)-1,3-thiazolidin-2-ylidene)cyanamideRefChem:1050072DTXCID90810397Thiacloprid111988-49-9Calypso(3-((6-Chloro-3-pyridinyl)methyl)-2-thiazolidinylidene)cyanamide(Z)-thiacloprid1119449-18-1DTXSID7034961({3-[(6-chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene}amino)formonitrileCHEMBL451432
Data from PubChem (NCBI)
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Molecular Structure
(3-((6-Chloropyridin-3-yl)methyl)-1,3-thiazolidin-2-ylidene)cyanamide
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Drug Network
Trials and conditions connected to (3-((6-Chloropyridin-3-yl)methyl)-1,3-thiazolidin-2-ylidene)cyanamide
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