2-(4-methoxyphenyl)-N-(2-methyl-1-phenylpropyl)-1,3-thiazole-4-carboxamide

C21H22N2O2S — CID 18230190

IUPAC2-(4-methoxyphenyl)-N-(2-methyl-1-phenylpropyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)NC(c3ccccc3)C(C)C)cs2)cc1
InChIInChI=1S/C21H22N2O2S/c1-14(2)19(15-7-5-4-6-8-15)23-20(24)18-13-26-21(22-18)16-9-11-17(25-3)12-10-16/h4-14,19H,1-3H3,(H,23,24)
InChIKeyLZPJHFUDRKAVIU-UHFFFAOYSA-N
MW366.49 g/mol
LogP4.95
Rot. Bonds6

About 2-(4-methoxyphenyl)-N-(2-methyl-1-phenylpropyl)-1,3-thiazole-4-carboxamide

2-(4-methoxyphenyl)-N-(2-methyl-1-phenylpropyl)-1,3-thiazole-4-carboxamide (PubChem CID 18230190) has the molecular formula C21H22N2O2S and a molecular weight of 366.49 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-(2-methyl-1-phenylpropyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-(2-methyl-1-phenylpropyl)-1,3-thiazole-4-carboxamide
PubChem CID18230190
Molecular FormulaC21H22N2O2S
Molecular Weight366.49 g/mol
Exact Mass366.14
IUPAC Name2-(4-methoxyphenyl)-N-(2-methyl-1-phenylpropyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)NC(c3ccccc3)C(C)C)cs2)cc1
InChIInChI=1S/C21H22N2O2S/c1-14(2)19(15-7-5-4-6-8-15)23-20(24)18-13-26-21(22-18)16-9-11-17(25-3)12-10-16/h4-14,19H,1-3H3,(H,23,24)
InChIKeyLZPJHFUDRKAVIU-UHFFFAOYSA-N
XLogP4.95
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 17392431
N-[1-(4-fluorophenyl)-2-methylpropyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 18229378
2-(4-methoxyphenyl)-N-(1-pyridin-3-ylethyl)-1,3-thiazole-4-carboxamide
CID 51256063
2-(4-methoxyphenyl)-N-[1-(3-sulfamoylphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 55407765
N-[1-(3,4-difluorophenyl)ethyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 45355568
N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 55395310
N-(2-methoxyphenyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 17417805
N-ethyl-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 42656610
N-(3-aminobutyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119495584
[2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 46645446
2-(4-methoxyphenyl)-N-(2-methyl-1-phenylpropyl)acetamide
CID 2964250
2-(4-methoxyphenyl)-N-[(1S)-2-methyl-1-phenylpropyl]acetamide
CID 974465

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-(2-methyl-1-phenylpropyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-(2-methyl-1-phenylpropyl)-1,3-thiazole-4-carboxamide (CID 18230190) is 2-(4-methoxyphenyl)-N-(2-methyl-1-phenylpropyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-(2-methyl-1-phenylpropyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-(2-methyl-1-phenylpropyl)-1,3-thiazole-4-carboxamide is COc1ccc(-c2nc(C(=O)NC(c3ccccc3)C(C)C)cs2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-(2-methyl-1-phenylpropyl)-1,3-thiazole-4-carboxamide?
The InChIKey is LZPJHFUDRKAVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2S/c1-14(2)19(15-7-5-4-6-8-15)23-20(24)18-13-26-21(22-18)16-9-11-17(25-3)12-10-16/h4-14,19H,1-3H3,(H,23,24).
What are the key properties of 2-(4-methoxyphenyl)-N-(2-methyl-1-phenylpropyl)-1,3-thiazole-4-carboxamide?
2-(4-methoxyphenyl)-N-(2-methyl-1-phenylpropyl)-1,3-thiazole-4-carboxamide has a molecular weight of 366.49 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-(2-methyl-1-phenylpropyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 18230190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).