[(2S)-1-(4-acetamidophenyl)-1-oxopropan-2-yl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate

C17H19N3O4S — CID 40856299

IUPAC[(2S)-1-(4-acetamidophenyl)-1-oxopropan-2-yl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate
SMILESCNc1snc(C)c1C(=O)O[C@@H](C)C(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C17H19N3O4S/c1-9-14(16(18-4)25-20-9)17(23)24-10(2)15(22)12-5-7-13(8-6-12)19-11(3)21/h5-8,10,18H,1-4H3,(H,19,21)/t10-/m0/s1
InChIKeyWGBVBHJZSTYGNA-JTQLQIEISA-N
MW361.42 g/mol
LogP2.88
Rot. Bonds6

About [(2S)-1-(4-acetamidophenyl)-1-oxopropan-2-yl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate

[(2S)-1-(4-acetamidophenyl)-1-oxopropan-2-yl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate (PubChem CID 40856299) has the molecular formula C17H19N3O4S and a molecular weight of 361.42 g/mol. Its IUPAC name is [(2S)-1-(4-acetamidophenyl)-1-oxopropan-2-yl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate.

Molecular Properties

Compound Name[(2S)-1-(4-acetamidophenyl)-1-oxopropan-2-yl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate
PubChem CID40856299
Molecular FormulaC17H19N3O4S
Molecular Weight361.42 g/mol
Exact Mass361.11
IUPAC Name[(2S)-1-(4-acetamidophenyl)-1-oxopropan-2-yl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate
SMILESCNc1snc(C)c1C(=O)O[C@@H](C)C(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C17H19N3O4S/c1-9-14(16(18-4)25-20-9)17(23)24-10(2)15(22)12-5-7-13(8-6-12)19-11(3)21/h5-8,10,18H,1-4H3,(H,19,21)/t10-/m0/s1
InChIKeyWGBVBHJZSTYGNA-JTQLQIEISA-N
XLogP2.88
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 4-acetamidobenzoate
CID 882656
3-methyl-5-(methylamino)-N-(4-propan-2-ylphenyl)-1,2-thiazole-4-carboxamide
CID 25391715
[(2R)-1-(4-acetamidophenyl)-1-oxopropan-2-yl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate
CID 8575282
[(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 4-acetamidobenzoate
CID 7949828
N-[4-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]phenyl]acetamide
CID 79375479
[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate
CID 27197247
[(2R)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] 4-acetamidobenzoate
CID 957246
bis[(2R)-1-(4-acetamidophenyl)-1-oxopropan-2-yl] (E)-but-2-enedioate
CID 51872840
3-methyl-5-(methylamino)-N-[4-(trifluoromethoxy)phenyl]-1,2-thiazole-4-carboxamide
CID 27449178
[2-(4-fluorophenyl)-2-oxoethyl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate
CID 27450994
[(2S)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate
CID 27196909
2-O-[(2R)-1-(4-acetamidophenyl)-1-oxopropan-2-yl] 4-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 7634356

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(4-acetamidophenyl)-1-oxopropan-2-yl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate?
The IUPAC name of [(2S)-1-(4-acetamidophenyl)-1-oxopropan-2-yl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate (CID 40856299) is [(2S)-1-(4-acetamidophenyl)-1-oxopropan-2-yl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate.
What is the SMILES notation for [(2S)-1-(4-acetamidophenyl)-1-oxopropan-2-yl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate?
The canonical SMILES for [(2S)-1-(4-acetamidophenyl)-1-oxopropan-2-yl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate is CNc1snc(C)c1C(=O)O[C@@H](C)C(=O)c1ccc(NC(C)=O)cc1.
What is the InChIKey of [(2S)-1-(4-acetamidophenyl)-1-oxopropan-2-yl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate?
The InChIKey is WGBVBHJZSTYGNA-JTQLQIEISA-N. The full InChI is InChI=1S/C17H19N3O4S/c1-9-14(16(18-4)25-20-9)17(23)24-10(2)15(22)12-5-7-13(8-6-12)19-11(3)21/h5-8,10,18H,1-4H3,(H,19,21)/t10-/m0/s1.
What are the key properties of [(2S)-1-(4-acetamidophenyl)-1-oxopropan-2-yl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate?
[(2S)-1-(4-acetamidophenyl)-1-oxopropan-2-yl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate has a molecular weight of 361.42 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(4-acetamidophenyl)-1-oxopropan-2-yl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate is sourced from PubChem (CID 40856299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).