2-methyl-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanenitrile

C12H11N3S — CID 116890180

IUPAC2-methyl-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanenitrile
SMILESCC(C)(C#N)c1csc(-c2cccnc2)n1
InChIInChI=1S/C12H11N3S/c1-12(2,8-13)10-7-16-11(15-10)9-4-3-5-14-6-9/h3-7H,1-2H3
InChIKeyFIXHVGMBLFHSPH-UHFFFAOYSA-N
MW229.31 g/mol
LogP3.01
Rot. Bonds2

About 2-methyl-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanenitrile

2-methyl-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanenitrile (PubChem CID 116890180) has the molecular formula C12H11N3S and a molecular weight of 229.31 g/mol. Its IUPAC name is 2-methyl-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanenitrile.

Molecular Properties

Compound Name2-methyl-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanenitrile
PubChem CID116890180
Molecular FormulaC12H11N3S
Molecular Weight229.31 g/mol
Exact Mass229.07
IUPAC Name2-methyl-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanenitrile
SMILESCC(C)(C#N)c1csc(-c2cccnc2)n1
InChIInChI=1S/C12H11N3S/c1-12(2,8-13)10-7-16-11(15-10)9-4-3-5-14-6-9/h3-7H,1-2H3
InChIKeyFIXHVGMBLFHSPH-UHFFFAOYSA-N
XLogP3.01
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 ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-[2-(2-methylphenyl)-1,3-thiazol-4-yl]propanenitrile
CID 116890174
1-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone
CID 22888692
3-oxo-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanenitrile
CID 604918
4-(2-piperazin-1-ylpropan-2-yl)-2-pyridin-3-yl-1,3-thiazole;N-(2,2,2-trifluoroethyl)formamide
CID 142065869
(2-pyridin-3-yl-1,3-thiazol-4-yl)methanediol
CID 130242448
bis(2-pyridin-3-yl-1,3-thiazol-4-yl)methanone
CID 175265157
4-tert-butyl-2-phenyl-1,3-thiazole
CID 608825
[2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate
CID 8920169
4-pyridin-2-yl-2-pyridin-3-yl-1,3-thiazole
CID 119088487
N-(2-hydroxy-2-methylpropyl)-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide
CID 110626848
N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 61280471
4-(cyclopentylmethyl)-2-pyridin-3-yl-1,3-thiazole
CID 67547913

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanenitrile?
The IUPAC name of 2-methyl-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanenitrile (CID 116890180) is 2-methyl-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanenitrile.
What is the SMILES notation for 2-methyl-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanenitrile?
The canonical SMILES for 2-methyl-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanenitrile is CC(C)(C#N)c1csc(-c2cccnc2)n1.
What is the InChIKey of 2-methyl-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanenitrile?
The InChIKey is FIXHVGMBLFHSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3S/c1-12(2,8-13)10-7-16-11(15-10)9-4-3-5-14-6-9/h3-7H,1-2H3.
What are the key properties of 2-methyl-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanenitrile?
2-methyl-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanenitrile has a molecular weight of 229.31 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanenitrile is sourced from PubChem (CID 116890180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).