N,5-dimethyl-1,2-benzothiazole-3-carboxamide

C10H10N2OS — CID 53015466

IUPACN,5-dimethyl-1,2-benzothiazole-3-carboxamide
SMILESCNC(=O)c1nsc2ccc(C)cc12
InChIInChI=1S/C10H10N2OS/c1-6-3-4-8-7(5-6)9(12-14-8)10(13)11-2/h3-5H,1-2H3,(H,11,13)
InChIKeyJBXSTCMGRSTKIJ-UHFFFAOYSA-N
MW206.27 g/mol
LogP1.96
Rot. Bonds1

About N,5-dimethyl-1,2-benzothiazole-3-carboxamide

N,5-dimethyl-1,2-benzothiazole-3-carboxamide (PubChem CID 53015466) has the molecular formula C10H10N2OS and a molecular weight of 206.27 g/mol. Its IUPAC name is N,5-dimethyl-1,2-benzothiazole-3-carboxamide.

Molecular Properties

Compound NameN,5-dimethyl-1,2-benzothiazole-3-carboxamide
PubChem CID53015466
Molecular FormulaC10H10N2OS
Molecular Weight206.27 g/mol
Exact Mass206.05
IUPAC NameN,5-dimethyl-1,2-benzothiazole-3-carboxamide
SMILESCNC(=O)c1nsc2ccc(C)cc12
InChIInChI=1S/C10H10N2OS/c1-6-3-4-8-7(5-6)9(12-14-8)10(13)11-2/h3-5H,1-2H3,(H,11,13)
InChIKeyJBXSTCMGRSTKIJ-UHFFFAOYSA-N
XLogP1.96
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N,5-dimethyl-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 N,5-dimethyl-1,2-benzothiazole-3-carboxamide?
The IUPAC name of N,5-dimethyl-1,2-benzothiazole-3-carboxamide (CID 53015466) is N,5-dimethyl-1,2-benzothiazole-3-carboxamide.
What is the SMILES notation for N,5-dimethyl-1,2-benzothiazole-3-carboxamide?
The canonical SMILES for N,5-dimethyl-1,2-benzothiazole-3-carboxamide is CNC(=O)c1nsc2ccc(C)cc12.
What is the InChIKey of N,5-dimethyl-1,2-benzothiazole-3-carboxamide?
The InChIKey is JBXSTCMGRSTKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2OS/c1-6-3-4-8-7(5-6)9(12-14-8)10(13)11-2/h3-5H,1-2H3,(H,11,13).
What are the key properties of N,5-dimethyl-1,2-benzothiazole-3-carboxamide?
N,5-dimethyl-1,2-benzothiazole-3-carboxamide has a molecular weight of 206.27 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-1,2-benzothiazole-3-carboxamide is sourced from PubChem (CID 53015466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).