2-(3,4-dimethoxyphenyl)-N-[(2S)-2-phenylpropyl]-1,3-thiazole-4-carboxamide

C21H22N2O3S — CID 9090037

IUPAC2-(3,4-dimethoxyphenyl)-N-[(2S)-2-phenylpropyl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)NC[C@@H](C)c3ccccc3)cs2)cc1OC
InChIInChI=1S/C21H22N2O3S/c1-14(15-7-5-4-6-8-15)12-22-20(24)17-13-27-21(23-17)16-9-10-18(25-2)19(11-16)26-3/h4-11,13-14H,12H2,1-3H3,(H,22,24)/t14-/m1/s1
InChIKeyHWTDIFHDHNAPTI-CQSZACIVSA-N
MW382.49 g/mol
LogP4.36
Rot. Bonds7

About 2-(3,4-dimethoxyphenyl)-N-[(2S)-2-phenylpropyl]-1,3-thiazole-4-carboxamide

2-(3,4-dimethoxyphenyl)-N-[(2S)-2-phenylpropyl]-1,3-thiazole-4-carboxamide (PubChem CID 9090037) has the molecular formula C21H22N2O3S and a molecular weight of 382.49 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[(2S)-2-phenylpropyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[(2S)-2-phenylpropyl]-1,3-thiazole-4-carboxamide
PubChem CID9090037
Molecular FormulaC21H22N2O3S
Molecular Weight382.49 g/mol
Exact Mass382.14
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[(2S)-2-phenylpropyl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)NC[C@@H](C)c3ccccc3)cs2)cc1OC
InChIInChI=1S/C21H22N2O3S/c1-14(15-7-5-4-6-8-15)12-22-20(24)17-13-27-21(23-17)16-9-10-18(25-2)19(11-16)26-3/h4-11,13-14H,12H2,1-3H3,(H,22,24)/t14-/m1/s1
InChIKeyHWTDIFHDHNAPTI-CQSZACIVSA-N
XLogP4.36
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3,4-dimethoxyphenyl)-N-[(2S)-2-phenylpropyl]-1,3-thiazole-4-carboxamide 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-(3,4-dimethoxyphenyl)-N-[(2S)-2-(dimethylamino)-2-phenylethyl]-1,3-thiazole-4-carboxamide
CID 27231015
2-phenyl-N-[(2R)-2-phenylpropyl]-1,3-thiazole-4-carboxamide
CID 9457088
2-(3,4-dimethoxyphenyl)-N-[2-(dimethylamino)-3-phenylpropyl]-1,3-thiazole-4-carboxamide
CID 18156560
2-(3,4-dimethoxyphenyl)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 42922685
2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carbohydrazide
CID 1478837
2-(3,4-dimethoxyphenyl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,3-thiazole-4-carboxamide
CID 24544237
2-(3,4-dimethoxyphenyl)-N-(4-phenoxybutyl)-1,3-thiazole-4-carboxamide
CID 24666063
2-(3,4-dimethoxyphenyl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-1,3-thiazole-4-carboxamide
CID 18157378
2-(3,4-dimethoxyphenyl)-N-(2-pyrrolidin-1-ylbutyl)-1,3-thiazole-4-carboxamide
CID 43064912
2-(3,4-dimethoxyphenyl)-N-[(1R)-1-pyridin-3-ylethyl]-1,3-thiazole-4-carboxamide
CID 51647272
2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carbonyl]amino]butanedioic acid
CID 155964490
2-amino-N-(2-phenylpropyl)-1,3-thiazole-4-carboxamide
CID 62789147

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[(2S)-2-phenylpropyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[(2S)-2-phenylpropyl]-1,3-thiazole-4-carboxamide (CID 9090037) is 2-(3,4-dimethoxyphenyl)-N-[(2S)-2-phenylpropyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[(2S)-2-phenylpropyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[(2S)-2-phenylpropyl]-1,3-thiazole-4-carboxamide is COc1ccc(-c2nc(C(=O)NC[C@@H](C)c3ccccc3)cs2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[(2S)-2-phenylpropyl]-1,3-thiazole-4-carboxamide?
The InChIKey is HWTDIFHDHNAPTI-CQSZACIVSA-N. The full InChI is InChI=1S/C21H22N2O3S/c1-14(15-7-5-4-6-8-15)12-22-20(24)17-13-27-21(23-17)16-9-10-18(25-2)19(11-16)26-3/h4-11,13-14H,12H2,1-3H3,(H,22,24)/t14-/m1/s1.
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[(2S)-2-phenylpropyl]-1,3-thiazole-4-carboxamide?
2-(3,4-dimethoxyphenyl)-N-[(2S)-2-phenylpropyl]-1,3-thiazole-4-carboxamide has a molecular weight of 382.49 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[(2S)-2-phenylpropyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 9090037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).