2-[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-4-yl]acetonitrile

C12H11N3S — CID 107504553

IUPAC2-[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-4-yl]acetonitrile
SMILESCc1cc(-c2nc(CC#N)cs2)cc(C)n1
InChIInChI=1S/C12H11N3S/c1-8-5-10(6-9(2)14-8)12-15-11(3-4-13)7-16-12/h5-7H,3H2,1-2H3
InChIKeyHNRAOXIXXZYGNV-UHFFFAOYSA-N
MW229.31 g/mol
LogP2.89
Rot. Bonds2

About 2-[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-4-yl]acetonitrile

2-[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-4-yl]acetonitrile (PubChem CID 107504553) has the molecular formula C12H11N3S and a molecular weight of 229.31 g/mol. Its IUPAC name is 2-[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-4-yl]acetonitrile.

Molecular Properties

Compound Name2-[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-4-yl]acetonitrile
PubChem CID107504553
Molecular FormulaC12H11N3S
Molecular Weight229.31 g/mol
Exact Mass229.07
IUPAC Name2-[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-4-yl]acetonitrile
SMILESCc1cc(-c2nc(CC#N)cs2)cc(C)n1
InChIInChI=1S/C12H11N3S/c1-8-5-10(6-9(2)14-8)12-15-11(3-4-13)7-16-12/h5-7H,3H2,1-2H3
InChIKeyHNRAOXIXXZYGNV-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-4-yl]acetonitrile with MolForge

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

Launch Full Analysis

Related Compounds

2-[2-(3,4-dimethylphenyl)-1,3-thiazol-4-yl]acetonitrile
CID 116889988
2-[2-(4-tert-butylphenyl)-1,3-thiazol-4-yl]acetonitrile
CID 82380573
[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-4-yl]methanol
CID 107504757
2-[2-(4-ethylsulfanylphenyl)-1,3-thiazol-4-yl]acetonitrile
CID 106849859
2-[2-(6-methyl-2-pyridinyl)-1,3-thiazol-4-yl]acetonitrile
CID 63556167
2-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]acetonitrile
CID 116890031
2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetonitrile
CID 62929478
2-[2-(2-methyl-5-nitrophenyl)-1,3-thiazol-4-yl]acetonitrile
CID 55155288
2-[2-(4-methylquinolin-2-yl)-1,3-thiazol-4-yl]acetonitrile
CID 114755503
2-[2-[(4-methylphenyl)methyl]-1,3-thiazol-4-yl]acetonitrile
CID 62929651
2-[2-(6-methoxypyridazin-3-yl)-1,3-thiazol-4-yl]acetonitrile
CID 103375229
4,6-dimethyl-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]pyridine-3-carbonitrile
CID 4858805

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-4-yl]acetonitrile?
The IUPAC name of 2-[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-4-yl]acetonitrile (CID 107504553) is 2-[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-4-yl]acetonitrile.
What is the SMILES notation for 2-[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-4-yl]acetonitrile?
The canonical SMILES for 2-[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-4-yl]acetonitrile is Cc1cc(-c2nc(CC#N)cs2)cc(C)n1.
What is the InChIKey of 2-[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-4-yl]acetonitrile?
The InChIKey is HNRAOXIXXZYGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3S/c1-8-5-10(6-9(2)14-8)12-15-11(3-4-13)7-16-12/h5-7H,3H2,1-2H3.
What are the key properties of 2-[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-4-yl]acetonitrile?
2-[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-4-yl]acetonitrile has a molecular weight of 229.31 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-4-yl]acetonitrile is sourced from PubChem (CID 107504553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).