N-(4-methoxyphenyl)-4-methyl-2-[(2-phenoxyacetyl)amino]-1,3-thiazole-5-carboxamide

C20H19N3O4S — CID 1465543

IUPACN-(4-methoxyphenyl)-4-methyl-2-[(2-phenoxyacetyl)amino]-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2sc(NC(=O)COc3ccccc3)nc2C)cc1
InChIInChI=1S/C20H19N3O4S/c1-13-18(19(25)22-14-8-10-15(26-2)11-9-14)28-20(21-13)23-17(24)12-27-16-6-4-3-5-7-16/h3-11H,12H2,1-2H3,(H,22,25)(H,21,23,24)
InChIKeyAQQMGQUVJIXQRR-UHFFFAOYSA-N
MW397.46 g/mol
LogP3.73
Rot. Bonds7

About N-(4-methoxyphenyl)-4-methyl-2-[(2-phenoxyacetyl)amino]-1,3-thiazole-5-carboxamide

N-(4-methoxyphenyl)-4-methyl-2-[(2-phenoxyacetyl)amino]-1,3-thiazole-5-carboxamide (PubChem CID 1465543) has the molecular formula C20H19N3O4S and a molecular weight of 397.46 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-methyl-2-[(2-phenoxyacetyl)amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-methyl-2-[(2-phenoxyacetyl)amino]-1,3-thiazole-5-carboxamide
PubChem CID1465543
Molecular FormulaC20H19N3O4S
Molecular Weight397.46 g/mol
Exact Mass397.11
IUPAC NameN-(4-methoxyphenyl)-4-methyl-2-[(2-phenoxyacetyl)amino]-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2sc(NC(=O)COc3ccccc3)nc2C)cc1
InChIInChI=1S/C20H19N3O4S/c1-13-18(19(25)22-14-8-10-15(26-2)11-9-14)28-20(21-13)23-17(24)12-27-16-6-4-3-5-7-16/h3-11H,12H2,1-2H3,(H,22,25)(H,21,23,24)
InChIKeyAQQMGQUVJIXQRR-UHFFFAOYSA-N
XLogP3.73
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 2-(4-ethoxyanilino)-4-methyl-1,3-thiazole-5-carboxylate
CID 858301
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-phenoxyacetamide
CID 2122298
Ethyl 2-({[4-(4-methoxyphenyl)-1-piperazinyl]acetyl}amino)-4-methyl-1,3-thiazole-5-carboxylate
CID 6464693
4-methyl-2-[(1-oxo-2-phenoxyethyl)amino]-N-phenyl-5-thiazolecarboxamide
CID 1468097
2-(2-methoxyanilino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 2701314
4-Methyl-2-(2-phenoxy-acetylamino)-thiazole-5-carboxylic acid methyl ester
CID 647925
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-nitrophenoxy)acetamide
CID 733432
N-{4-[(2-Methoxy-phenylcarbamoyl)-methyl]-thiazol-2-yl}-propionamide
CID 864703
1-{4-Methyl-2-[(4-phenoxyphenyl)amino]-1,3-thiazol-5-YL}ethanone hydrochloride
CID 867556
N-(2-Methoxy-phenyl)-2-[2-(3-phenyl-thioureido)-thiazol-4-yl]-acetamide
CID 1169035
N-(2-methoxyphenyl)-2-[2-[(4-methoxyphenyl)carbamothioylamino]-1,3-thiazol-4-yl]acetamide
CID 3168637
N,4-dimethyl-2-(4-phenylmethoxyanilino)-1,3-thiazole-5-carboxamide
CID 8128123

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-methyl-2-[(2-phenoxyacetyl)amino]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-4-methyl-2-[(2-phenoxyacetyl)amino]-1,3-thiazole-5-carboxamide (CID 1465543) is N-(4-methoxyphenyl)-4-methyl-2-[(2-phenoxyacetyl)amino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-4-methyl-2-[(2-phenoxyacetyl)amino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-4-methyl-2-[(2-phenoxyacetyl)amino]-1,3-thiazole-5-carboxamide is COc1ccc(NC(=O)c2sc(NC(=O)COc3ccccc3)nc2C)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-methyl-2-[(2-phenoxyacetyl)amino]-1,3-thiazole-5-carboxamide?
The InChIKey is AQQMGQUVJIXQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4S/c1-13-18(19(25)22-14-8-10-15(26-2)11-9-14)28-20(21-13)23-17(24)12-27-16-6-4-3-5-7-16/h3-11H,12H2,1-2H3,(H,22,25)(H,21,23,24).
What are the key properties of N-(4-methoxyphenyl)-4-methyl-2-[(2-phenoxyacetyl)amino]-1,3-thiazole-5-carboxamide?
N-(4-methoxyphenyl)-4-methyl-2-[(2-phenoxyacetyl)amino]-1,3-thiazole-5-carboxamide has a molecular weight of 397.46 g/mol, XLogP of 3.73, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-methyl-2-[(2-phenoxyacetyl)amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 1465543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).