5-chloro-1,3-thiazole-2-carbonitrile

C4HClN2S — CID 45121885

IUPAC5-chloro-1,3-thiazole-2-carbonitrile
SMILESN#Cc1ncc(Cl)s1
InChIInChI=1S/C4HClN2S/c5-3-2-7-4(1-6)8-3/h2H
InChIKeyQGWLZLSXLRDWRT-UHFFFAOYSA-N
MW144.59 g/mol
LogP1.67
Rot. Bonds

About 5-chloro-1,3-thiazole-2-carbonitrile

5-chloro-1,3-thiazole-2-carbonitrile (PubChem CID 45121885) has the molecular formula C4HClN2S and a molecular weight of 144.59 g/mol. Its IUPAC name is 5-chloro-1,3-thiazole-2-carbonitrile.

Molecular Properties

Compound Name5-chloro-1,3-thiazole-2-carbonitrile
PubChem CID45121885
Molecular FormulaC4HClN2S
Molecular Weight144.59 g/mol
Exact Mass143.95
IUPAC Name5-chloro-1,3-thiazole-2-carbonitrile
SMILESN#Cc1ncc(Cl)s1
InChIInChI=1S/C4HClN2S/c5-3-2-7-4(1-6)8-3/h2H
InChIKeyQGWLZLSXLRDWRT-UHFFFAOYSA-N
XLogP1.67
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.59
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1,3-thiazole-2-carbonitrile?
The IUPAC name of 5-chloro-1,3-thiazole-2-carbonitrile (CID 45121885) is 5-chloro-1,3-thiazole-2-carbonitrile.
What is the SMILES notation for 5-chloro-1,3-thiazole-2-carbonitrile?
The canonical SMILES for 5-chloro-1,3-thiazole-2-carbonitrile is N#Cc1ncc(Cl)s1.
What is the InChIKey of 5-chloro-1,3-thiazole-2-carbonitrile?
The InChIKey is QGWLZLSXLRDWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HClN2S/c5-3-2-7-4(1-6)8-3/h2H.
What are the key properties of 5-chloro-1,3-thiazole-2-carbonitrile?
5-chloro-1,3-thiazole-2-carbonitrile has a molecular weight of 144.59 g/mol, XLogP of 1.67, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1,3-thiazole-2-carbonitrile is sourced from PubChem (CID 45121885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).