methyl N-(2-oxo-3H-1,3-benzothiazol-6-yl)carbamate

C9H8N2O3S — CID 71495737

IUPACmethyl N-(2-oxo-3H-1,3-benzothiazol-6-yl)carbamate
SMILESCOC(=O)Nc1ccc2[nH]c(=O)sc2c1
InChIInChI=1S/C9H8N2O3S/c1-14-8(12)10-5-2-3-6-7(4-5)15-9(13)11-6/h2-4H,1H3,(H,10,12)(H,11,13)
InChIKeyVZTIWWRDEXDLME-UHFFFAOYSA-N
MW224.24 g/mol
LogP1.77
Rot. Bonds1

About methyl N-(2-oxo-3H-1,3-benzothiazol-6-yl)carbamate

methyl N-(2-oxo-3H-1,3-benzothiazol-6-yl)carbamate (PubChem CID 71495737) has the molecular formula C9H8N2O3S and a molecular weight of 224.24 g/mol. Its IUPAC name is methyl N-(2-oxo-3H-1,3-benzothiazol-6-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(2-oxo-3H-1,3-benzothiazol-6-yl)carbamate
PubChem CID71495737
Molecular FormulaC9H8N2O3S
Molecular Weight224.24 g/mol
Exact Mass224.03
IUPAC Namemethyl N-(2-oxo-3H-1,3-benzothiazol-6-yl)carbamate
SMILESCOC(=O)Nc1ccc2[nH]c(=O)sc2c1
InChIInChI=1S/C9H8N2O3S/c1-14-8(12)10-5-2-3-6-7(4-5)15-9(13)11-6/h2-4H,1H3,(H,10,12)(H,11,13)
InChIKeyVZTIWWRDEXDLME-UHFFFAOYSA-N
XLogP1.77
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl N-(2-oxo-3H-1,3-benzothiazol-6-yl)carbamate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl N-(2-oxo-3H-1,3-benzothiazol-6-yl)carbamate?
The IUPAC name of methyl N-(2-oxo-3H-1,3-benzothiazol-6-yl)carbamate (CID 71495737) is methyl N-(2-oxo-3H-1,3-benzothiazol-6-yl)carbamate.
What is the SMILES notation for methyl N-(2-oxo-3H-1,3-benzothiazol-6-yl)carbamate?
The canonical SMILES for methyl N-(2-oxo-3H-1,3-benzothiazol-6-yl)carbamate is COC(=O)Nc1ccc2[nH]c(=O)sc2c1.
What is the InChIKey of methyl N-(2-oxo-3H-1,3-benzothiazol-6-yl)carbamate?
The InChIKey is VZTIWWRDEXDLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3S/c1-14-8(12)10-5-2-3-6-7(4-5)15-9(13)11-6/h2-4H,1H3,(H,10,12)(H,11,13).
What are the key properties of methyl N-(2-oxo-3H-1,3-benzothiazol-6-yl)carbamate?
methyl N-(2-oxo-3H-1,3-benzothiazol-6-yl)carbamate has a molecular weight of 224.24 g/mol, XLogP of 1.77, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2-oxo-3H-1,3-benzothiazol-6-yl)carbamate is sourced from PubChem (CID 71495737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).