2-methyl-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)propanenitrile

C13H13N3S — CID 116886410

IUPAC2-methyl-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)propanenitrile
SMILESCc1nc(-c2ccccn2)sc1C(C)(C)C#N
InChIInChI=1S/C13H13N3S/c1-9-11(13(2,3)8-14)17-12(16-9)10-6-4-5-7-15-10/h4-7H,1-3H3
InChIKeySOHAUKCUMGDODH-UHFFFAOYSA-N
MW243.33 g/mol
LogP3.31
Rot. Bonds2

About 2-methyl-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)propanenitrile

2-methyl-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)propanenitrile (PubChem CID 116886410) has the molecular formula C13H13N3S and a molecular weight of 243.33 g/mol. Its IUPAC name is 2-methyl-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)propanenitrile.

Molecular Properties

Compound Name2-methyl-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)propanenitrile
PubChem CID116886410
Molecular FormulaC13H13N3S
Molecular Weight243.33 g/mol
Exact Mass243.08
IUPAC Name2-methyl-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)propanenitrile
SMILESCc1nc(-c2ccccn2)sc1C(C)(C)C#N
InChIInChI=1S/C13H13N3S/c1-9-11(13(2,3)8-14)17-12(16-9)10-6-4-5-7-15-10/h4-7H,1-3H3
InChIKeySOHAUKCUMGDODH-UHFFFAOYSA-N
XLogP3.31
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-dimethyl-2-pyridin-2-yl-1,3-thiazole
CID 58923237
5-bromo-4-methyl-2-pyridin-2-yl-1,3-thiazole
CID 75532062
2-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methylpropanenitrile
CID 116886393
4-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)aniline
CID 116885261
N-(4-cyanophenyl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 17481163
4,6-dimethyl-2-pyridin-2-yl-1,3-benzothiazole
CID 57387521
4-ethyl-5-methyl-2-pyridin-2-yl-1,3-thiazole
CID 91387936
3-amino-3-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)propanoic acid
CID 116886784
N-(1,3-benzothiazol-2-yl)-N,4-dimethyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 17492594
4-(4-chlorophenyl)-5-methyl-2-pyridin-2-yl-1,3-thiazole
CID 4822801
2-pyridin-2-yl-1,3-thiazole-5-carbonitrile
CID 82422608
N-[2-(tert-butylamino)-2-oxoethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 26953998

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)propanenitrile?
The IUPAC name of 2-methyl-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)propanenitrile (CID 116886410) is 2-methyl-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)propanenitrile.
What is the SMILES notation for 2-methyl-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)propanenitrile?
The canonical SMILES for 2-methyl-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)propanenitrile is Cc1nc(-c2ccccn2)sc1C(C)(C)C#N.
What is the InChIKey of 2-methyl-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)propanenitrile?
The InChIKey is SOHAUKCUMGDODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3S/c1-9-11(13(2,3)8-14)17-12(16-9)10-6-4-5-7-15-10/h4-7H,1-3H3.
What are the key properties of 2-methyl-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)propanenitrile?
2-methyl-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)propanenitrile has a molecular weight of 243.33 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)propanenitrile is sourced from PubChem (CID 116886410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).