4-methyl-1,2-benzothiazole-3-carboxamide

C9H8N2OS — CID 119091354

IUPAC4-methyl-1,2-benzothiazole-3-carboxamide
SMILESCc1cccc2snc(C(N)=O)c12
InChIInChI=1S/C9H8N2OS/c1-5-3-2-4-6-7(5)8(9(10)12)11-13-6/h2-4H,1H3,(H2,10,12)
InChIKeyOMDRYLPAOVFKBA-UHFFFAOYSA-N
MW192.24 g/mol
LogP1.70
Rot. Bonds1

About 4-methyl-1,2-benzothiazole-3-carboxamide

4-methyl-1,2-benzothiazole-3-carboxamide (PubChem CID 119091354) has the molecular formula C9H8N2OS and a molecular weight of 192.24 g/mol. Its IUPAC name is 4-methyl-1,2-benzothiazole-3-carboxamide.

Molecular Properties

Compound Name4-methyl-1,2-benzothiazole-3-carboxamide
PubChem CID119091354
Molecular FormulaC9H8N2OS
Molecular Weight192.24 g/mol
Exact Mass192.04
IUPAC Name4-methyl-1,2-benzothiazole-3-carboxamide
SMILESCc1cccc2snc(C(N)=O)c12
InChIInChI=1S/C9H8N2OS/c1-5-3-2-4-6-7(5)8(9(10)12)11-13-6/h2-4H,1H3,(H2,10,12)
InChIKeyOMDRYLPAOVFKBA-UHFFFAOYSA-N
XLogP1.70
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methyl-1,2-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 4-methyl-1,2-benzothiazole-3-carboxamide?
The IUPAC name of 4-methyl-1,2-benzothiazole-3-carboxamide (CID 119091354) is 4-methyl-1,2-benzothiazole-3-carboxamide.
What is the SMILES notation for 4-methyl-1,2-benzothiazole-3-carboxamide?
The canonical SMILES for 4-methyl-1,2-benzothiazole-3-carboxamide is Cc1cccc2snc(C(N)=O)c12.
What is the InChIKey of 4-methyl-1,2-benzothiazole-3-carboxamide?
The InChIKey is OMDRYLPAOVFKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2OS/c1-5-3-2-4-6-7(5)8(9(10)12)11-13-6/h2-4H,1H3,(H2,10,12).
What are the key properties of 4-methyl-1,2-benzothiazole-3-carboxamide?
4-methyl-1,2-benzothiazole-3-carboxamide has a molecular weight of 192.24 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,2-benzothiazole-3-carboxamide is sourced from PubChem (CID 119091354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).