3-chloro-5-pyridin-3-yl-1,2-thiazole-4-carbonitrile

C9H4ClN3S — CID 86767902

IUPAC3-chloro-5-pyridin-3-yl-1,2-thiazole-4-carbonitrile
SMILESN#Cc1c(Cl)nsc1-c1cccnc1
InChIInChI=1S/C9H4ClN3S/c10-9-7(4-11)8(14-13-9)6-2-1-3-12-5-6/h1-3,5H
InChIKeyOFGRLFVTQSMNJG-UHFFFAOYSA-N
MW221.67 g/mol
LogP2.73
Rot. Bonds1

About 3-chloro-5-pyridin-3-yl-1,2-thiazole-4-carbonitrile

3-chloro-5-pyridin-3-yl-1,2-thiazole-4-carbonitrile (PubChem CID 86767902) has the molecular formula C9H4ClN3S and a molecular weight of 221.67 g/mol. Its IUPAC name is 3-chloro-5-pyridin-3-yl-1,2-thiazole-4-carbonitrile.

Molecular Properties

Compound Name3-chloro-5-pyridin-3-yl-1,2-thiazole-4-carbonitrile
PubChem CID86767902
Molecular FormulaC9H4ClN3S
Molecular Weight221.67 g/mol
Exact Mass220.98
IUPAC Name3-chloro-5-pyridin-3-yl-1,2-thiazole-4-carbonitrile
SMILESN#Cc1c(Cl)nsc1-c1cccnc1
InChIInChI=1S/C9H4ClN3S/c10-9-7(4-11)8(14-13-9)6-2-1-3-12-5-6/h1-3,5H
InChIKeyOFGRLFVTQSMNJG-UHFFFAOYSA-N
XLogP2.73
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.67
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-5-(3-methylphenyl)-1,2-thiazole-4-carbonitrile
CID 10988209
3,5-dipyridin-3-ylpyridine-4-carbonitrile
CID 46316354
3-chloro-5-[4-(trifluoromethyl)phenyl]-1,2-thiazole-4-carbonitrile
CID 2781438
3-chloro-5-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1,2-thiazole-4-carbonitrile
CID 133427037
3-chloro-5-(2-methoxyphenyl)-1,2-thiazole-4-carbonitrile
CID 10890350
4-methyl-5-pyridin-3-yl-1,3-thiazole-2-carbonitrile
CID 165447959
2-chloro-4-pyridin-3-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 82093014
2-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridine-3-carbonitrile
CID 144657133
2,6-difluoro-3-pyridin-3-ylbenzonitrile
CID 58731401
3-bromo-5-phenyl-1,2-thiazole-4-carbonitrile
CID 11140016
5-chloro-2-pyridin-3-yl-1H-indole-3-carbonitrile
CID 58215807
4-chloro-6-(3-methylimidazol-4-yl)-2-pyridin-3-ylpyrimidine-5-carbonitrile
CID 135388053

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-pyridin-3-yl-1,2-thiazole-4-carbonitrile?
The IUPAC name of 3-chloro-5-pyridin-3-yl-1,2-thiazole-4-carbonitrile (CID 86767902) is 3-chloro-5-pyridin-3-yl-1,2-thiazole-4-carbonitrile.
What is the SMILES notation for 3-chloro-5-pyridin-3-yl-1,2-thiazole-4-carbonitrile?
The canonical SMILES for 3-chloro-5-pyridin-3-yl-1,2-thiazole-4-carbonitrile is N#Cc1c(Cl)nsc1-c1cccnc1.
What is the InChIKey of 3-chloro-5-pyridin-3-yl-1,2-thiazole-4-carbonitrile?
The InChIKey is OFGRLFVTQSMNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4ClN3S/c10-9-7(4-11)8(14-13-9)6-2-1-3-12-5-6/h1-3,5H.
What are the key properties of 3-chloro-5-pyridin-3-yl-1,2-thiazole-4-carbonitrile?
3-chloro-5-pyridin-3-yl-1,2-thiazole-4-carbonitrile has a molecular weight of 221.67 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-pyridin-3-yl-1,2-thiazole-4-carbonitrile is sourced from PubChem (CID 86767902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).