2-(1,3-thiazol-4-yl)pyridine-3-carbonitrile

C9H5N3S — CID 175814538

IUPAC2-(1,3-thiazol-4-yl)pyridine-3-carbonitrile
SMILESN#Cc1cccnc1-c1cscn1
InChIInChI=1S/C9H5N3S/c10-4-7-2-1-3-11-9(7)8-5-13-6-12-8/h1-3,5-6H
InChIKeyKGVCBWKMOWFTSX-UHFFFAOYSA-N
MW187.23 g/mol
LogP2.08
Rot. Bonds1

About 2-(1,3-thiazol-4-yl)pyridine-3-carbonitrile

2-(1,3-thiazol-4-yl)pyridine-3-carbonitrile (PubChem CID 175814538) has the molecular formula C9H5N3S and a molecular weight of 187.23 g/mol. Its IUPAC name is 2-(1,3-thiazol-4-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(1,3-thiazol-4-yl)pyridine-3-carbonitrile
PubChem CID175814538
Molecular FormulaC9H5N3S
Molecular Weight187.23 g/mol
Exact Mass187.02
IUPAC Name2-(1,3-thiazol-4-yl)pyridine-3-carbonitrile
SMILESN#Cc1cccnc1-c1cscn1
InChIInChI=1S/C9H5N3S/c10-4-7-2-1-3-11-9(7)8-5-13-6-12-8/h1-3,5-6H
InChIKeyKGVCBWKMOWFTSX-UHFFFAOYSA-N
XLogP2.08
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.23
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazol-4-yl)pyridine-3-carbonitrile?
The IUPAC name of 2-(1,3-thiazol-4-yl)pyridine-3-carbonitrile (CID 175814538) is 2-(1,3-thiazol-4-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(1,3-thiazol-4-yl)pyridine-3-carbonitrile?
The canonical SMILES for 2-(1,3-thiazol-4-yl)pyridine-3-carbonitrile is N#Cc1cccnc1-c1cscn1.
What is the InChIKey of 2-(1,3-thiazol-4-yl)pyridine-3-carbonitrile?
The InChIKey is KGVCBWKMOWFTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5N3S/c10-4-7-2-1-3-11-9(7)8-5-13-6-12-8/h1-3,5-6H.
What are the key properties of 2-(1,3-thiazol-4-yl)pyridine-3-carbonitrile?
2-(1,3-thiazol-4-yl)pyridine-3-carbonitrile has a molecular weight of 187.23 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-4-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 175814538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).