2-[4-ethyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]acetonitrile

C14H14N2S — CID 82428583

IUPAC2-[4-ethyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]acetonitrile
SMILESCCc1nc(-c2ccc(C)cc2)sc1CC#N
InChIInChI=1S/C14H14N2S/c1-3-12-13(8-9-15)17-14(16-12)11-6-4-10(2)5-7-11/h4-7H,3,8H2,1-2H3
InChIKeyNRMOYKPRXZACGQ-UHFFFAOYSA-N
MW242.35 g/mol
LogP3.75
Rot. Bonds3

About 2-[4-ethyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]acetonitrile

2-[4-ethyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]acetonitrile (PubChem CID 82428583) has the molecular formula C14H14N2S and a molecular weight of 242.35 g/mol. Its IUPAC name is 2-[4-ethyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]acetonitrile.

Molecular Properties

Compound Name2-[4-ethyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]acetonitrile
PubChem CID82428583
Molecular FormulaC14H14N2S
Molecular Weight242.35 g/mol
Exact Mass242.09
IUPAC Name2-[4-ethyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]acetonitrile
SMILESCCc1nc(-c2ccc(C)cc2)sc1CC#N
InChIInChI=1S/C14H14N2S/c1-3-12-13(8-9-15)17-14(16-12)11-6-4-10(2)5-7-11/h4-7H,3,8H2,1-2H3
InChIKeyNRMOYKPRXZACGQ-UHFFFAOYSA-N
XLogP3.75
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-tert-butyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]acetonitrile
CID 82438554
2-[4-ethyl-2-(3-methoxyphenyl)-1,3-thiazol-5-yl]acetonitrile
CID 82430025
2-[2-(2,4-dichlorophenyl)-4-ethyl-1,3-thiazol-5-yl]acetonitrile
CID 82430143
2-[4-(methoxymethyl)-2-(4-propoxyphenyl)-1,3-thiazol-5-yl]acetonitrile
CID 82441236
N-methyl-1-[2-(4-methylphenyl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 82431617
N-[[2-(4-methylphenyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 82431618
2-[4-tert-butyl-2-[4-(dimethylamino)phenyl]-1,3-thiazol-5-yl]acetonitrile
CID 82439144
[4-ethyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]methanol
CID 82428598
1-[4-ethyl-2-(3-fluoro-4-methylphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 104841103
1-[4-ethyl-2-(4-propoxyphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82430102
2-(4-ethyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetonitrile
CID 82430941
1-[4-tert-butyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82438547

Frequently Asked Questions

What is the IUPAC name of 2-[4-ethyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]acetonitrile?
The IUPAC name of 2-[4-ethyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]acetonitrile (CID 82428583) is 2-[4-ethyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]acetonitrile.
What is the SMILES notation for 2-[4-ethyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]acetonitrile?
The canonical SMILES for 2-[4-ethyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]acetonitrile is CCc1nc(-c2ccc(C)cc2)sc1CC#N.
What is the InChIKey of 2-[4-ethyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]acetonitrile?
The InChIKey is NRMOYKPRXZACGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2S/c1-3-12-13(8-9-15)17-14(16-12)11-6-4-10(2)5-7-11/h4-7H,3,8H2,1-2H3.
What are the key properties of 2-[4-ethyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]acetonitrile?
2-[4-ethyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]acetonitrile has a molecular weight of 242.35 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-ethyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]acetonitrile is sourced from PubChem (CID 82428583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).