3-chloro-5-[[(3-chlorophenyl)-pyridin-2-ylmethyl]amino]-1,2-thiazole-4-carbonitrile

C16H10Cl2N4S — CID 133364072

IUPAC3-chloro-5-[[(3-chlorophenyl)-pyridin-2-ylmethyl]amino]-1,2-thiazole-4-carbonitrile
SMILESN#Cc1c(Cl)nsc1NC(c1cccc(Cl)c1)c1ccccn1
InChIInChI=1S/C16H10Cl2N4S/c17-11-5-3-4-10(8-11)14(13-6-1-2-7-20-13)21-16-12(9-19)15(18)22-23-16/h1-8,14,21H
InChIKeyZBYZLBDETGHIGQ-UHFFFAOYSA-N
MW361.26 g/mol
LogP4.92
Rot. Bonds4

About 3-chloro-5-[[(3-chlorophenyl)-pyridin-2-ylmethyl]amino]-1,2-thiazole-4-carbonitrile

3-chloro-5-[[(3-chlorophenyl)-pyridin-2-ylmethyl]amino]-1,2-thiazole-4-carbonitrile (PubChem CID 133364072) has the molecular formula C16H10Cl2N4S and a molecular weight of 361.26 g/mol. Its IUPAC name is 3-chloro-5-[[(3-chlorophenyl)-pyridin-2-ylmethyl]amino]-1,2-thiazole-4-carbonitrile.

Molecular Properties

Compound Name3-chloro-5-[[(3-chlorophenyl)-pyridin-2-ylmethyl]amino]-1,2-thiazole-4-carbonitrile
PubChem CID133364072
Molecular FormulaC16H10Cl2N4S
Molecular Weight361.26 g/mol
Exact Mass360.00
IUPAC Name3-chloro-5-[[(3-chlorophenyl)-pyridin-2-ylmethyl]amino]-1,2-thiazole-4-carbonitrile
SMILESN#Cc1c(Cl)nsc1NC(c1cccc(Cl)c1)c1ccccn1
InChIInChI=1S/C16H10Cl2N4S/c17-11-5-3-4-10(8-11)14(13-6-1-2-7-20-13)21-16-12(9-19)15(18)22-23-16/h1-8,14,21H
InChIKeyZBYZLBDETGHIGQ-UHFFFAOYSA-N
XLogP4.92
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.26
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-2-[[(3-methylphenyl)-pyridin-2-ylmethyl]amino]benzonitrile
CID 133414861
2-[[(R)-(3-chlorophenyl)-pyridin-2-ylmethyl]amino]-N-(cyanomethyl)acetamide
CID 96542751
N-[(S)-(3-chlorophenyl)-pyridin-2-ylmethyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 124613569
6-[[(3-chlorophenyl)-pyridin-2-ylmethyl]amino]pyridazine-3-carboxamide
CID 133364201
(1S)-1-(3-chlorophenyl)-N-(1-pyridin-2-ylethyl)ethanamine
CID 81366506
4-chloro-5-[[(3-chlorophenyl)-pyridin-2-ylmethyl]amino]-2-methylpyridazin-3-one
CID 133364168
N-[(3-chlorophenyl)-pyridin-2-ylmethyl]-6-nitroquinolin-2-amine
CID 133364023
N-[(3-chlorophenyl)-pyridin-2-ylmethyl]-4-fluoro-2-nitroaniline
CID 133364043
3-chloro-5-[[(2S)-1-hydroxypropan-2-yl]amino]-1,2-thiazole-4-carbonitrile
CID 130687983
2-(3-chlorophenyl)-2-pyridin-2-ylethanamine
CID 75357398
(1S)-1-(3-chlorophenyl)-N-[(1-methylpyrrol-2-yl)methyl]-1-pyridin-2-ylmethanamine
CID 97075751
ethyl 6-[[(3-chlorophenyl)-pyridin-2-ylmethyl]amino]pyridine-3-carboxylate
CID 133364083

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[[(3-chlorophenyl)-pyridin-2-ylmethyl]amino]-1,2-thiazole-4-carbonitrile?
The IUPAC name of 3-chloro-5-[[(3-chlorophenyl)-pyridin-2-ylmethyl]amino]-1,2-thiazole-4-carbonitrile (CID 133364072) is 3-chloro-5-[[(3-chlorophenyl)-pyridin-2-ylmethyl]amino]-1,2-thiazole-4-carbonitrile.
What is the SMILES notation for 3-chloro-5-[[(3-chlorophenyl)-pyridin-2-ylmethyl]amino]-1,2-thiazole-4-carbonitrile?
The canonical SMILES for 3-chloro-5-[[(3-chlorophenyl)-pyridin-2-ylmethyl]amino]-1,2-thiazole-4-carbonitrile is N#Cc1c(Cl)nsc1NC(c1cccc(Cl)c1)c1ccccn1.
What is the InChIKey of 3-chloro-5-[[(3-chlorophenyl)-pyridin-2-ylmethyl]amino]-1,2-thiazole-4-carbonitrile?
The InChIKey is ZBYZLBDETGHIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2N4S/c17-11-5-3-4-10(8-11)14(13-6-1-2-7-20-13)21-16-12(9-19)15(18)22-23-16/h1-8,14,21H.
What are the key properties of 3-chloro-5-[[(3-chlorophenyl)-pyridin-2-ylmethyl]amino]-1,2-thiazole-4-carbonitrile?
3-chloro-5-[[(3-chlorophenyl)-pyridin-2-ylmethyl]amino]-1,2-thiazole-4-carbonitrile has a molecular weight of 361.26 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[[(3-chlorophenyl)-pyridin-2-ylmethyl]amino]-1,2-thiazole-4-carbonitrile is sourced from PubChem (CID 133364072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).