2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetonitrile

C13H12N2S — CID 24703190

IUPAC2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetonitrile
SMILESCCc1ccc(-c2csc(CC#N)n2)cc1
InChIInChI=1S/C13H12N2S/c1-2-10-3-5-11(6-4-10)12-9-16-13(15-12)7-8-14/h3-6,9H,2,7H2,1H3
InChIKeyCWPSMMAZGZZTCN-UHFFFAOYSA-N
MW228.32 g/mol
LogP3.44
Rot. Bonds3

About 2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetonitrile

2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetonitrile (PubChem CID 24703190) has the molecular formula C13H12N2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetonitrile.

Molecular Properties

Compound Name2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetonitrile
PubChem CID24703190
Molecular FormulaC13H12N2S
Molecular Weight228.32 g/mol
Exact Mass228.07
IUPAC Name2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetonitrile
SMILESCCc1ccc(-c2csc(CC#N)n2)cc1
InChIInChI=1S/C13H12N2S/c1-2-10-3-5-11(6-4-10)12-9-16-13(15-12)7-8-14/h3-6,9H,2,7H2,1H3
InChIKeyCWPSMMAZGZZTCN-UHFFFAOYSA-N
XLogP3.44
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(4-butylphenyl)-1,3-thiazol-2-yl]acetonitrile
CID 95464853
4-(4-ethylphenyl)-2-methyl-1,3-thiazole
CID 19240269
4-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]butan-2-amine
CID 116965129
2-[4-(4-ethoxy-3-methylphenyl)-1,3-thiazol-2-yl]acetonitrile
CID 82300635
N'-[2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]ethyl]ethane-1,2-diamine
CID 82102821
2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]aniline
CID 60707173
2-[4-(1,2-dimethylbenzimidazol-5-yl)-1,3-thiazol-2-yl]acetonitrile
CID 116966293
2-[4-(4-ethylphenyl)pyrimidin-2-yl]acetonitrile
CID 116900943
4-(4-chlorophenyl)-2-ethyl-1,3-thiazole
CID 2804464
N-[2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]ethyl]-3-methoxypropan-1-amine
CID 82103057
2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetonitrile
CID 24708724
1-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]ethanone
CID 63523872

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetonitrile?
The IUPAC name of 2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetonitrile (CID 24703190) is 2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetonitrile.
What is the SMILES notation for 2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetonitrile?
The canonical SMILES for 2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetonitrile is CCc1ccc(-c2csc(CC#N)n2)cc1.
What is the InChIKey of 2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetonitrile?
The InChIKey is CWPSMMAZGZZTCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2S/c1-2-10-3-5-11(6-4-10)12-9-16-13(15-12)7-8-14/h3-6,9H,2,7H2,1H3.
What are the key properties of 2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetonitrile?
2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetonitrile has a molecular weight of 228.32 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetonitrile is sourced from PubChem (CID 24703190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).