2-methylpropyl 2-oxo-2-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]acetate

C16H17N3O4S — CID 15053516

IUPAC2-methylpropyl 2-oxo-2-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]acetate
SMILESCC(C)COC(=O)C(=O)c1csc(NC(=O)Nc2ccccc2)n1
InChIInChI=1S/C16H17N3O4S/c1-10(2)8-23-14(21)13(20)12-9-24-16(18-12)19-15(22)17-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H2,17,18,19,22)
InChIKeyZCOPUTKJUYLPMU-UHFFFAOYSA-N
MW347.40 g/mol
LogP3.17
Rot. Bonds6

About 2-methylpropyl 2-oxo-2-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]acetate

2-methylpropyl 2-oxo-2-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]acetate (PubChem CID 15053516) has the molecular formula C16H17N3O4S and a molecular weight of 347.40 g/mol. Its IUPAC name is 2-methylpropyl 2-oxo-2-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Name2-methylpropyl 2-oxo-2-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]acetate
PubChem CID15053516
Molecular FormulaC16H17N3O4S
Molecular Weight347.40 g/mol
Exact Mass347.09
IUPAC Name2-methylpropyl 2-oxo-2-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]acetate
SMILESCC(C)COC(=O)C(=O)c1csc(NC(=O)Nc2ccccc2)n1
InChIInChI=1S/C16H17N3O4S/c1-10(2)8-23-14(21)13(20)12-9-24-16(18-12)19-15(22)17-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H2,17,18,19,22)
InChIKeyZCOPUTKJUYLPMU-UHFFFAOYSA-N
XLogP3.17
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(2-methylpropyl)-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide
CID 16948150
N-butan-2-yl-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide
CID 16948151
ethyl 2-[2-[(2,6-dimethylphenyl)carbamoylamino]-1,3-thiazol-4-yl]-2-oxoacetate
CID 15053505
2-methylpropyl 2-(2-amino-1,3-thiazol-4-yl)-2-oxoacetate
CID 15053527
ethyl 2-[2-[(3,4-dichlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-2-oxoacetate
CID 15053496
N-(4-methoxyphenyl)-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide
CID 16948201
2-methylpropyl N-[4-(2-anilino-2-oxoethyl)-1,3-thiazol-2-yl]carbamate
CID 16884027
N-(4-methylphenyl)-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide
CID 16948187
N-(2-methoxyphenyl)-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide
CID 16948199
2-(phenylcarbamoylamino)-N-(2,4,6-trimethylphenyl)-1,3-thiazole-4-carboxamide
CID 16948235
2-[(4-fluorophenyl)carbamoylamino]-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide
CID 16948948
2-(phenylcarbamoylamino)-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide
CID 16948254

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-oxo-2-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]acetate?
The IUPAC name of 2-methylpropyl 2-oxo-2-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]acetate (CID 15053516) is 2-methylpropyl 2-oxo-2-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for 2-methylpropyl 2-oxo-2-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for 2-methylpropyl 2-oxo-2-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]acetate is CC(C)COC(=O)C(=O)c1csc(NC(=O)Nc2ccccc2)n1.
What is the InChIKey of 2-methylpropyl 2-oxo-2-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]acetate?
The InChIKey is ZCOPUTKJUYLPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4S/c1-10(2)8-23-14(21)13(20)12-9-24-16(18-12)19-15(22)17-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H2,17,18,19,22).
What are the key properties of 2-methylpropyl 2-oxo-2-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]acetate?
2-methylpropyl 2-oxo-2-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]acetate has a molecular weight of 347.40 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-oxo-2-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 15053516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).