1-(3-oxo-1,2-benzothiazol-2-yl)propan-2-yl N-phenylcarbamate

C17H16N2O3S — CID 10806174

IUPAC1-(3-oxo-1,2-benzothiazol-2-yl)propan-2-yl N-phenylcarbamate
SMILESCC(Cn1sc2ccccc2c1=O)OC(=O)Nc1ccccc1
InChIInChI=1S/C17H16N2O3S/c1-12(22-17(21)18-13-7-3-2-4-8-13)11-19-16(20)14-9-5-6-10-15(14)23-19/h2-10,12H,11H2,1H3,(H,18,21)
InChIKeyBXYVVGNCQWELEA-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.70
Rot. Bonds4

About 1-(3-oxo-1,2-benzothiazol-2-yl)propan-2-yl N-phenylcarbamate

1-(3-oxo-1,2-benzothiazol-2-yl)propan-2-yl N-phenylcarbamate (PubChem CID 10806174) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is 1-(3-oxo-1,2-benzothiazol-2-yl)propan-2-yl N-phenylcarbamate.

Molecular Properties

Compound Name1-(3-oxo-1,2-benzothiazol-2-yl)propan-2-yl N-phenylcarbamate
PubChem CID10806174
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC Name1-(3-oxo-1,2-benzothiazol-2-yl)propan-2-yl N-phenylcarbamate
SMILESCC(Cn1sc2ccccc2c1=O)OC(=O)Nc1ccccc1
InChIInChI=1S/C17H16N2O3S/c1-12(22-17(21)18-13-7-3-2-4-8-13)11-19-16(20)14-9-5-6-10-15(14)23-19/h2-10,12H,11H2,1H3,(H,18,21)
InChIKeyBXYVVGNCQWELEA-UHFFFAOYSA-N
XLogP3.70
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(3-oxo-1,2-benzothiazol-2-yl)propan-2-yl N-phenylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-oxo-1,2-benzothiazol-2-yl)propan-2-yl N-(3-methylphenyl)carbamate
CID 10783488
3-(3-oxo-1,2-benzothiazol-2-yl)propyl N-phenylcarbamate
CID 10806173
4-methyl-2-[(3-oxo-1,2-benzothiazol-2-yl)methyl]pentanoic acid
CID 81435443
5-methyl-3-[(3-oxo-1,2-benzothiazol-2-yl)methyl]hexanoic acid
CID 81435128
2-hydroxy-3-(3-oxo-1,2-benzothiazol-2-yl)propanoic acid
CID 81435653
(5-oxo-6-phenylhexan-2-yl) N-phenylcarbamate
CID 160928096
3-(3-oxo-1,2-benzothiazol-2-yl)propyl N-(3-chlorophenyl)carbamate
CID 10570673
methyl 3-[[2-(3-oxo-1,2-benzothiazol-2-yl)acetyl]amino]benzoate
CID 56670281
N-(4-hydroxyphenyl)-3-(3-oxo-1,2-benzothiazol-2-yl)propanamide
CID 45494796
N-(2-methyl-6-propan-2-ylphenyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide
CID 2496717
2-(3,3-dimethyl-2-oxobutyl)-1,2-benzothiazol-3-one
CID 138578978
N-(2-methylphenyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide
CID 44968084

Frequently Asked Questions

What is the IUPAC name of 1-(3-oxo-1,2-benzothiazol-2-yl)propan-2-yl N-phenylcarbamate?
The IUPAC name of 1-(3-oxo-1,2-benzothiazol-2-yl)propan-2-yl N-phenylcarbamate (CID 10806174) is 1-(3-oxo-1,2-benzothiazol-2-yl)propan-2-yl N-phenylcarbamate.
What is the SMILES notation for 1-(3-oxo-1,2-benzothiazol-2-yl)propan-2-yl N-phenylcarbamate?
The canonical SMILES for 1-(3-oxo-1,2-benzothiazol-2-yl)propan-2-yl N-phenylcarbamate is CC(Cn1sc2ccccc2c1=O)OC(=O)Nc1ccccc1.
What is the InChIKey of 1-(3-oxo-1,2-benzothiazol-2-yl)propan-2-yl N-phenylcarbamate?
The InChIKey is BXYVVGNCQWELEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S/c1-12(22-17(21)18-13-7-3-2-4-8-13)11-19-16(20)14-9-5-6-10-15(14)23-19/h2-10,12H,11H2,1H3,(H,18,21).
What are the key properties of 1-(3-oxo-1,2-benzothiazol-2-yl)propan-2-yl N-phenylcarbamate?
1-(3-oxo-1,2-benzothiazol-2-yl)propan-2-yl N-phenylcarbamate has a molecular weight of 328.39 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-oxo-1,2-benzothiazol-2-yl)propan-2-yl N-phenylcarbamate is sourced from PubChem (CID 10806174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).