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

C9H5N3S — CID 82422608

IUPAC2-pyridin-2-yl-1,3-thiazole-5-carbonitrile
SMILESN#Cc1cnc(-c2ccccn2)s1
InChIInChI=1S/C9H5N3S/c10-5-7-6-12-9(13-7)8-3-1-2-4-11-8/h1-4,6H
InChIKeyDCXNFXZUYMVBMU-UHFFFAOYSA-N
MW187.23 g/mol
LogP2.08
Rot. Bonds1

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

2-pyridin-2-yl-1,3-thiazole-5-carbonitrile (PubChem CID 82422608) has the molecular formula C9H5N3S and a molecular weight of 187.23 g/mol. Its IUPAC name is 2-pyridin-2-yl-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name2-pyridin-2-yl-1,3-thiazole-5-carbonitrile
PubChem CID82422608
Molecular FormulaC9H5N3S
Molecular Weight187.23 g/mol
Exact Mass187.02
IUPAC Name2-pyridin-2-yl-1,3-thiazole-5-carbonitrile
SMILESN#Cc1cnc(-c2ccccn2)s1
InChIInChI=1S/C9H5N3S/c10-5-7-6-12-9(13-7)8-3-1-2-4-11-8/h1-4,6H
InChIKeyDCXNFXZUYMVBMU-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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Related Compounds

potassium hydroxy-(2-pyridin-2-yl-1,3-thiazol-5-yl)methanolate
CID 131132164
cobalt(2+);bis(2-pyridin-2-ylpyridine);dicyanate
CID 139074463
1-(2-pyridin-2-yl-1,3-thiazol-5-yl)propan-2-one
CID 115091334
N-methyl-4-(2-pyridin-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
CID 82422630
5-(azidomethyl)-2-pyridin-2-yl-1,3-thiazole
CID 126697357
5-pyridin-2-yl-2-pyridin-3-yl-1,3-thiazole
CID 71226275
2-pyridin-2-ylpyridine;rhenium;tetrachloride
CID 52939847
2-pyridin-2-ylpyridine;hydroiodide
CID 172833113
2-pyridin-2-ylpyridine;ruthenium(2+)
CID 140596360
tris(2-pyridin-2-ylpyridine);ruthenium
CID 6100643
bis(2-pyridin-2-ylpyridine);ruthenium
CID 87118114
nickel;tris(2-pyridin-2-ylpyridine)
CID 76737267

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-1,3-thiazole-5-carbonitrile?
The IUPAC name of 2-pyridin-2-yl-1,3-thiazole-5-carbonitrile (CID 82422608) is 2-pyridin-2-yl-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 2-pyridin-2-yl-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 2-pyridin-2-yl-1,3-thiazole-5-carbonitrile is N#Cc1cnc(-c2ccccn2)s1.
What is the InChIKey of 2-pyridin-2-yl-1,3-thiazole-5-carbonitrile?
The InChIKey is DCXNFXZUYMVBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5N3S/c10-5-7-6-12-9(13-7)8-3-1-2-4-11-8/h1-4,6H.
What are the key properties of 2-pyridin-2-yl-1,3-thiazole-5-carbonitrile?
2-pyridin-2-yl-1,3-thiazole-5-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-pyridin-2-yl-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 82422608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).