N-ethyl-2-oxo-1,3-benzothiazole-3-carboxamide

C10H10N2O2S — CID 86011028

IUPACN-ethyl-2-oxo-1,3-benzothiazole-3-carboxamide
SMILESCCNC(=O)n1c(=O)sc2ccccc21
InChIInChI=1S/C10H10N2O2S/c1-2-11-9(13)12-7-5-3-4-6-8(7)15-10(12)14/h3-6H,2H2,1H3,(H,11,13)
InChIKeyIZXZVCSSXKOIEL-UHFFFAOYSA-N
MW222.27 g/mol
LogP1.64
Rot. Bonds1

About N-ethyl-2-oxo-1,3-benzothiazole-3-carboxamide

N-ethyl-2-oxo-1,3-benzothiazole-3-carboxamide (PubChem CID 86011028) has the molecular formula C10H10N2O2S and a molecular weight of 222.27 g/mol. Its IUPAC name is N-ethyl-2-oxo-1,3-benzothiazole-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-oxo-1,3-benzothiazole-3-carboxamide
PubChem CID86011028
Molecular FormulaC10H10N2O2S
Molecular Weight222.27 g/mol
Exact Mass222.05
IUPAC NameN-ethyl-2-oxo-1,3-benzothiazole-3-carboxamide
SMILESCCNC(=O)n1c(=O)sc2ccccc21
InChIInChI=1S/C10H10N2O2S/c1-2-11-9(13)12-7-5-3-4-6-8(7)15-10(12)14/h3-6H,2H2,1H3,(H,11,13)
InChIKeyIZXZVCSSXKOIEL-UHFFFAOYSA-N
XLogP1.64
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-ethyl-2-oxo-1,3-benzothiazole-3-carboxamide 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 N-ethyl-2-oxo-1,3-benzothiazole-3-carboxamide?
The IUPAC name of N-ethyl-2-oxo-1,3-benzothiazole-3-carboxamide (CID 86011028) is N-ethyl-2-oxo-1,3-benzothiazole-3-carboxamide.
What is the SMILES notation for N-ethyl-2-oxo-1,3-benzothiazole-3-carboxamide?
The canonical SMILES for N-ethyl-2-oxo-1,3-benzothiazole-3-carboxamide is CCNC(=O)n1c(=O)sc2ccccc21.
What is the InChIKey of N-ethyl-2-oxo-1,3-benzothiazole-3-carboxamide?
The InChIKey is IZXZVCSSXKOIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S/c1-2-11-9(13)12-7-5-3-4-6-8(7)15-10(12)14/h3-6H,2H2,1H3,(H,11,13).
What are the key properties of N-ethyl-2-oxo-1,3-benzothiazole-3-carboxamide?
N-ethyl-2-oxo-1,3-benzothiazole-3-carboxamide has a molecular weight of 222.27 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-oxo-1,3-benzothiazole-3-carboxamide is sourced from PubChem (CID 86011028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).