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

C14H14N2OS — CID 82430025

IUPAC2-[4-ethyl-2-(3-methoxyphenyl)-1,3-thiazol-5-yl]acetonitrile
SMILESCCc1nc(-c2cccc(OC)c2)sc1CC#N
InChIInChI=1S/C14H14N2OS/c1-3-12-13(7-8-15)18-14(16-12)10-5-4-6-11(9-10)17-2/h4-6,9H,3,7H2,1-2H3
InChIKeyVQQALPZBWSZGSK-UHFFFAOYSA-N
MW258.35 g/mol
LogP3.45
Rot. Bonds4

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

2-[4-ethyl-2-(3-methoxyphenyl)-1,3-thiazol-5-yl]acetonitrile (PubChem CID 82430025) has the molecular formula C14H14N2OS and a molecular weight of 258.35 g/mol. Its IUPAC name is 2-[4-ethyl-2-(3-methoxyphenyl)-1,3-thiazol-5-yl]acetonitrile.

Molecular Properties

Compound Name2-[4-ethyl-2-(3-methoxyphenyl)-1,3-thiazol-5-yl]acetonitrile
PubChem CID82430025
Molecular FormulaC14H14N2OS
Molecular Weight258.35 g/mol
Exact Mass258.08
IUPAC Name2-[4-ethyl-2-(3-methoxyphenyl)-1,3-thiazol-5-yl]acetonitrile
SMILESCCc1nc(-c2cccc(OC)c2)sc1CC#N
InChIInChI=1S/C14H14N2OS/c1-3-12-13(7-8-15)18-14(16-12)10-5-4-6-11(9-10)17-2/h4-6,9H,3,7H2,1-2H3
InChIKeyVQQALPZBWSZGSK-UHFFFAOYSA-N
XLogP3.45
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-ethyl-2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82430015
2-[4-cyclopropyl-2-(3-methoxyphenyl)-1,3-thiazol-5-yl]acetonitrile
CID 82437261
2-[4-ethyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]acetonitrile
CID 82428583
1-[2-(3,5-dimethoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 103399663
2-[2-(2,5-dimethoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]acetonitrile
CID 82441375
1-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-one
CID 82302253
[4-tert-butyl-2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methanamine
CID 82439181
2-[2-(2,4-dichlorophenyl)-4-ethyl-1,3-thiazol-5-yl]acetonitrile
CID 82430143
2-[2-(3-methoxyphenyl)-4-propyl-1,3-thiazol-5-yl]propan-2-ol
CID 82432624
2-[2-(3-methoxyphenyl)-3-pyridinyl]acetonitrile
CID 117001889
2-[4-(methoxymethyl)-2-(4-propoxyphenyl)-1,3-thiazol-5-yl]acetonitrile
CID 82441236
2-[5-bromo-2-(3-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid
CID 84608422

Frequently Asked Questions

What is the IUPAC name of 2-[4-ethyl-2-(3-methoxyphenyl)-1,3-thiazol-5-yl]acetonitrile?
The IUPAC name of 2-[4-ethyl-2-(3-methoxyphenyl)-1,3-thiazol-5-yl]acetonitrile (CID 82430025) is 2-[4-ethyl-2-(3-methoxyphenyl)-1,3-thiazol-5-yl]acetonitrile.
What is the SMILES notation for 2-[4-ethyl-2-(3-methoxyphenyl)-1,3-thiazol-5-yl]acetonitrile?
The canonical SMILES for 2-[4-ethyl-2-(3-methoxyphenyl)-1,3-thiazol-5-yl]acetonitrile is CCc1nc(-c2cccc(OC)c2)sc1CC#N.
What is the InChIKey of 2-[4-ethyl-2-(3-methoxyphenyl)-1,3-thiazol-5-yl]acetonitrile?
The InChIKey is VQQALPZBWSZGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS/c1-3-12-13(7-8-15)18-14(16-12)10-5-4-6-11(9-10)17-2/h4-6,9H,3,7H2,1-2H3.
What are the key properties of 2-[4-ethyl-2-(3-methoxyphenyl)-1,3-thiazol-5-yl]acetonitrile?
2-[4-ethyl-2-(3-methoxyphenyl)-1,3-thiazol-5-yl]acetonitrile has a molecular weight of 258.35 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-ethyl-2-(3-methoxyphenyl)-1,3-thiazol-5-yl]acetonitrile is sourced from PubChem (CID 82430025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).