4-propan-2-yl-2-pyridin-4-yl-1,3-thiazole-5-carbonitrile

C12H11N3S — CID 82434036

IUPAC4-propan-2-yl-2-pyridin-4-yl-1,3-thiazole-5-carbonitrile
SMILESCC(C)c1nc(-c2ccncc2)sc1C#N
InChIInChI=1S/C12H11N3S/c1-8(2)11-10(7-13)16-12(15-11)9-3-5-14-6-4-9/h3-6,8H,1-2H3
InChIKeyNIPIQNSRLLRBMU-UHFFFAOYSA-N
MW229.31 g/mol
LogP3.20
Rot. Bonds2

About 4-propan-2-yl-2-pyridin-4-yl-1,3-thiazole-5-carbonitrile

4-propan-2-yl-2-pyridin-4-yl-1,3-thiazole-5-carbonitrile (PubChem CID 82434036) has the molecular formula C12H11N3S and a molecular weight of 229.31 g/mol. Its IUPAC name is 4-propan-2-yl-2-pyridin-4-yl-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name4-propan-2-yl-2-pyridin-4-yl-1,3-thiazole-5-carbonitrile
PubChem CID82434036
Molecular FormulaC12H11N3S
Molecular Weight229.31 g/mol
Exact Mass229.07
IUPAC Name4-propan-2-yl-2-pyridin-4-yl-1,3-thiazole-5-carbonitrile
SMILESCC(C)c1nc(-c2ccncc2)sc1C#N
InChIInChI=1S/C12H11N3S/c1-8(2)11-10(7-13)16-12(15-11)9-3-5-14-6-4-9/h3-6,8H,1-2H3
InChIKeyNIPIQNSRLLRBMU-UHFFFAOYSA-N
XLogP3.20
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.31
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-propan-2-yl-2-pyridin-4-yl-1,3-thiazole-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-2-pyridin-4-yl-1,3-thiazole-5-carbonitrile?
The IUPAC name of 4-propan-2-yl-2-pyridin-4-yl-1,3-thiazole-5-carbonitrile (CID 82434036) is 4-propan-2-yl-2-pyridin-4-yl-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 4-propan-2-yl-2-pyridin-4-yl-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 4-propan-2-yl-2-pyridin-4-yl-1,3-thiazole-5-carbonitrile is CC(C)c1nc(-c2ccncc2)sc1C#N.
What is the InChIKey of 4-propan-2-yl-2-pyridin-4-yl-1,3-thiazole-5-carbonitrile?
The InChIKey is NIPIQNSRLLRBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3S/c1-8(2)11-10(7-13)16-12(15-11)9-3-5-14-6-4-9/h3-6,8H,1-2H3.
What are the key properties of 4-propan-2-yl-2-pyridin-4-yl-1,3-thiazole-5-carbonitrile?
4-propan-2-yl-2-pyridin-4-yl-1,3-thiazole-5-carbonitrile has a molecular weight of 229.31 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-2-pyridin-4-yl-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 82434036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).