2-chloro-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile

C7H2ClN3S — CID 76850416

IUPAC2-chloro-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile
SMILESN#Cc1cnc2nc(Cl)sc2c1
InChIInChI=1S/C7H2ClN3S/c8-7-11-6-5(12-7)1-4(2-9)3-10-6/h1,3H
InChIKeyRSUWGNPQLDZYJO-UHFFFAOYSA-N
MW195.63 g/mol
LogP2.22
Rot. Bonds

About 2-chloro-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile

2-chloro-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile (PubChem CID 76850416) has the molecular formula C7H2ClN3S and a molecular weight of 195.63 g/mol. Its IUPAC name is 2-chloro-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile.

Molecular Properties

Compound Name2-chloro-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile
PubChem CID76850416
Molecular FormulaC7H2ClN3S
Molecular Weight195.63 g/mol
Exact Mass194.97
IUPAC Name2-chloro-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile
SMILESN#Cc1cnc2nc(Cl)sc2c1
InChIInChI=1S/C7H2ClN3S/c8-7-11-6-5(12-7)1-4(2-9)3-10-6/h1,3H
InChIKeyRSUWGNPQLDZYJO-UHFFFAOYSA-N
XLogP2.22
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.63
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile?
The IUPAC name of 2-chloro-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile (CID 76850416) is 2-chloro-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile.
What is the SMILES notation for 2-chloro-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile?
The canonical SMILES for 2-chloro-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile is N#Cc1cnc2nc(Cl)sc2c1.
What is the InChIKey of 2-chloro-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile?
The InChIKey is RSUWGNPQLDZYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2ClN3S/c8-7-11-6-5(12-7)1-4(2-9)3-10-6/h1,3H.
What are the key properties of 2-chloro-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile?
2-chloro-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile has a molecular weight of 195.63 g/mol, XLogP of 2.22, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile is sourced from PubChem (CID 76850416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).