2-(2-chloro-[1,3]thiazolo[4,5-b]pyridin-6-yl)acetonitrile

C8H4ClN3S — CID 76850411

IUPAC2-(2-chloro-[1,3]thiazolo[4,5-b]pyridin-6-yl)acetonitrile
SMILESN#CCc1cnc2nc(Cl)sc2c1
InChIInChI=1S/C8H4ClN3S/c9-8-12-7-6(13-8)3-5(1-2-10)4-11-7/h3-4H,1H2
InChIKeyLEKTXMKIYCMDKR-UHFFFAOYSA-N
MW209.66 g/mol
LogP2.41
Rot. Bonds1

About 2-(2-chloro-[1,3]thiazolo[4,5-b]pyridin-6-yl)acetonitrile

2-(2-chloro-[1,3]thiazolo[4,5-b]pyridin-6-yl)acetonitrile (PubChem CID 76850411) has the molecular formula C8H4ClN3S and a molecular weight of 209.66 g/mol. Its IUPAC name is 2-(2-chloro-[1,3]thiazolo[4,5-b]pyridin-6-yl)acetonitrile.

Molecular Properties

Compound Name2-(2-chloro-[1,3]thiazolo[4,5-b]pyridin-6-yl)acetonitrile
PubChem CID76850411
Molecular FormulaC8H4ClN3S
Molecular Weight209.66 g/mol
Exact Mass208.98
IUPAC Name2-(2-chloro-[1,3]thiazolo[4,5-b]pyridin-6-yl)acetonitrile
SMILESN#CCc1cnc2nc(Cl)sc2c1
InChIInChI=1S/C8H4ClN3S/c9-8-12-7-6(13-8)3-5(1-2-10)4-11-7/h3-4H,1H2
InChIKeyLEKTXMKIYCMDKR-UHFFFAOYSA-N
XLogP2.41
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.66
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-[1,3]thiazolo[4,5-b]pyridin-6-yl)acetonitrile?
The IUPAC name of 2-(2-chloro-[1,3]thiazolo[4,5-b]pyridin-6-yl)acetonitrile (CID 76850411) is 2-(2-chloro-[1,3]thiazolo[4,5-b]pyridin-6-yl)acetonitrile.
What is the SMILES notation for 2-(2-chloro-[1,3]thiazolo[4,5-b]pyridin-6-yl)acetonitrile?
The canonical SMILES for 2-(2-chloro-[1,3]thiazolo[4,5-b]pyridin-6-yl)acetonitrile is N#CCc1cnc2nc(Cl)sc2c1.
What is the InChIKey of 2-(2-chloro-[1,3]thiazolo[4,5-b]pyridin-6-yl)acetonitrile?
The InChIKey is LEKTXMKIYCMDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClN3S/c9-8-12-7-6(13-8)3-5(1-2-10)4-11-7/h3-4H,1H2.
What are the key properties of 2-(2-chloro-[1,3]thiazolo[4,5-b]pyridin-6-yl)acetonitrile?
2-(2-chloro-[1,3]thiazolo[4,5-b]pyridin-6-yl)acetonitrile has a molecular weight of 209.66 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-[1,3]thiazolo[4,5-b]pyridin-6-yl)acetonitrile is sourced from PubChem (CID 76850411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).