2-[2-(2,5-dimethoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]acetonitrile

C15H16N2O3S — CID 82441375

IUPAC2-[2-(2,5-dimethoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]acetonitrile
SMILESCOCc1nc(-c2cc(OC)ccc2OC)sc1CC#N
InChIInChI=1S/C15H16N2O3S/c1-18-9-12-14(6-7-16)21-15(17-12)11-8-10(19-2)4-5-13(11)20-3/h4-5,8H,6,9H2,1-3H3
InChIKeyAKVHEQKAXHWXNN-UHFFFAOYSA-N
MW304.37 g/mol
LogP3.04
Rot. Bonds6

About 2-[2-(2,5-dimethoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]acetonitrile

2-[2-(2,5-dimethoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]acetonitrile (PubChem CID 82441375) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is 2-[2-(2,5-dimethoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]acetonitrile.

Molecular Properties

Compound Name2-[2-(2,5-dimethoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]acetonitrile
PubChem CID82441375
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name2-[2-(2,5-dimethoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]acetonitrile
SMILESCOCc1nc(-c2cc(OC)ccc2OC)sc1CC#N
InChIInChI=1S/C15H16N2O3S/c1-18-9-12-14(6-7-16)21-15(17-12)11-8-10(19-2)4-5-13(11)20-3/h4-5,8H,6,9H2,1-3H3
InChIKeyAKVHEQKAXHWXNN-UHFFFAOYSA-N
XLogP3.04
TPSA64.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[2-(2,5-dimethoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-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-[4-(methoxymethyl)-2-(2-methoxyphenyl)-1,3-thiazol-5-yl]acetonitrile
CID 82441136
2-[2-(2,5-dimethoxyphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]acetonitrile
CID 82435121
2-[2-(2-ethoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]acetonitrile
CID 82441153
[2-(2,5-dimethoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]methanethiol
CID 82430342
[2-(2,5-dimethoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]methanamine
CID 82430343
2-[4-(methoxymethyl)-2-(4-propoxyphenyl)-1,3-thiazol-5-yl]acetonitrile
CID 82441236
2-[4-ethyl-2-(3-methoxyphenyl)-1,3-thiazol-5-yl]acetonitrile
CID 82430025
2-(2,5-dimethoxyphenyl)-4-propan-2-yl-1,3-thiazole-5-carbonitrile
CID 82435118
2-(2,5-dimethoxyphenyl)-5-methoxy-4-methyl-1,3-thiazole
CID 116887517
2-(2,5-dimethoxyphenyl)-1,3-thiazole-5-carbonitrile
CID 82424538
2-[4-tert-butyl-2-(2-methoxyphenyl)-1,3-thiazol-5-yl]acetonitrile
CID 82439155
4-cyclopropyl-2-(2,5-dimethoxyphenyl)-1,3-thiazole-5-carbonitrile
CID 82437470

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,5-dimethoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]acetonitrile?
The IUPAC name of 2-[2-(2,5-dimethoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]acetonitrile (CID 82441375) is 2-[2-(2,5-dimethoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]acetonitrile.
What is the SMILES notation for 2-[2-(2,5-dimethoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]acetonitrile?
The canonical SMILES for 2-[2-(2,5-dimethoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]acetonitrile is COCc1nc(-c2cc(OC)ccc2OC)sc1CC#N.
What is the InChIKey of 2-[2-(2,5-dimethoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]acetonitrile?
The InChIKey is AKVHEQKAXHWXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-18-9-12-14(6-7-16)21-15(17-12)11-8-10(19-2)4-5-13(11)20-3/h4-5,8H,6,9H2,1-3H3.
What are the key properties of 2-[2-(2,5-dimethoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]acetonitrile?
2-[2-(2,5-dimethoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]acetonitrile has a molecular weight of 304.37 g/mol, XLogP of 3.04, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,5-dimethoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]acetonitrile is sourced from PubChem (CID 82441375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).