[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-phenyl-1,3-thiazole-4-carboxylate

C20H18N2O4S — CID 9310461

IUPAC[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-phenyl-1,3-thiazole-4-carboxylate
SMILESCOc1ccc(NC(=O)[C@H](C)OC(=O)c2csc(-c3ccccc3)n2)cc1
InChIInChI=1S/C20H18N2O4S/c1-13(18(23)21-15-8-10-16(25-2)11-9-15)26-20(24)17-12-27-19(22-17)14-6-4-3-5-7-14/h3-13H,1-2H3,(H,21,23)/t13-/m0/s1
InChIKeySOSVGSGSVZUDQA-ZDUSSCGKSA-N
MW382.44 g/mol
LogP4.00
Rot. Bonds6

About [(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-phenyl-1,3-thiazole-4-carboxylate

[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-phenyl-1,3-thiazole-4-carboxylate (PubChem CID 9310461) has the molecular formula C20H18N2O4S and a molecular weight of 382.44 g/mol. Its IUPAC name is [(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-phenyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Name[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-phenyl-1,3-thiazole-4-carboxylate
PubChem CID9310461
Molecular FormulaC20H18N2O4S
Molecular Weight382.44 g/mol
Exact Mass382.10
IUPAC Name[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-phenyl-1,3-thiazole-4-carboxylate
SMILESCOc1ccc(NC(=O)[C@H](C)OC(=O)c2csc(-c3ccccc3)n2)cc1
InChIInChI=1S/C20H18N2O4S/c1-13(18(23)21-15-8-10-16(25-2)11-9-15)26-20(24)17-12-27-19(22-17)14-6-4-3-5-7-14/h3-13H,1-2H3,(H,21,23)/t13-/m0/s1
InChIKeySOSVGSGSVZUDQA-ZDUSSCGKSA-N
XLogP4.00
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 46645446
[(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-phenyl-1,3-thiazole-4-carboxylate
CID 26004581
[1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-acetamido-1,3-thiazole-4-carboxylate
CID 46605269
[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl] 2-phenyl-1,3-thiazole-4-carboxylate
CID 46827242
[(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 9136024
[1-(4-chloroanilino)-1-oxopropan-2-yl] 2-(3-chlorophenyl)-1,3-thiazole-4-carboxylate
CID 46827271
[(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 2-phenyl-1,3-thiazole-4-carboxylate
CID 9310472
[(2R)-1-(2-acetylanilino)-1-oxopropan-2-yl] 2-phenyl-1,3-thiazole-4-carboxylate
CID 9310510
(1-anilino-1-oxopropan-2-yl) 2-thiophen-2-yl-1,3-thiazole-4-carboxylate
CID 55402825
[1-(4-ethylanilino)-1-oxopropan-2-yl] 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 46659523
[(2R)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-phenyl-1,3-thiazole-4-carboxylate
CID 9310493
[(2S)-1-(4-cyanoanilino)-1-oxopropan-2-yl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 8824515

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-phenyl-1,3-thiazole-4-carboxylate?
The IUPAC name of [(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-phenyl-1,3-thiazole-4-carboxylate (CID 9310461) is [(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-phenyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for [(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-phenyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for [(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-phenyl-1,3-thiazole-4-carboxylate is COc1ccc(NC(=O)[C@H](C)OC(=O)c2csc(-c3ccccc3)n2)cc1.
What is the InChIKey of [(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-phenyl-1,3-thiazole-4-carboxylate?
The InChIKey is SOSVGSGSVZUDQA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H18N2O4S/c1-13(18(23)21-15-8-10-16(25-2)11-9-15)26-20(24)17-12-27-19(22-17)14-6-4-3-5-7-14/h3-13H,1-2H3,(H,21,23)/t13-/m0/s1.
What are the key properties of [(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-phenyl-1,3-thiazole-4-carboxylate?
[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-phenyl-1,3-thiazole-4-carboxylate has a molecular weight of 382.44 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-phenyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 9310461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).