4,6-dimethyl-1,2-benzothiazole-3-carboxamide

C10H10N2OS — CID 58497436

IUPAC4,6-dimethyl-1,2-benzothiazole-3-carboxamide
SMILESCc1cc(C)c2c(C(N)=O)nsc2c1
InChIInChI=1S/C10H10N2OS/c1-5-3-6(2)8-7(4-5)14-12-9(8)10(11)13/h3-4H,1-2H3,(H2,11,13)
InChIKeyQEUUNWQNJZZRTR-UHFFFAOYSA-N
MW206.27 g/mol
LogP2.01
Rot. Bonds1

About 4,6-dimethyl-1,2-benzothiazole-3-carboxamide

4,6-dimethyl-1,2-benzothiazole-3-carboxamide (PubChem CID 58497436) has the molecular formula C10H10N2OS and a molecular weight of 206.27 g/mol. Its IUPAC name is 4,6-dimethyl-1,2-benzothiazole-3-carboxamide.

Molecular Properties

Compound Name4,6-dimethyl-1,2-benzothiazole-3-carboxamide
PubChem CID58497436
Molecular FormulaC10H10N2OS
Molecular Weight206.27 g/mol
Exact Mass206.05
IUPAC Name4,6-dimethyl-1,2-benzothiazole-3-carboxamide
SMILESCc1cc(C)c2c(C(N)=O)nsc2c1
InChIInChI=1S/C10H10N2OS/c1-5-3-6(2)8-7(4-5)14-12-9(8)10(11)13/h3-4H,1-2H3,(H2,11,13)
InChIKeyQEUUNWQNJZZRTR-UHFFFAOYSA-N
XLogP2.01
TPSA55.98 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 ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4,6-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 4,6-dimethyl-1,2-benzothiazole-3-carboxamide?
The IUPAC name of 4,6-dimethyl-1,2-benzothiazole-3-carboxamide (CID 58497436) is 4,6-dimethyl-1,2-benzothiazole-3-carboxamide.
What is the SMILES notation for 4,6-dimethyl-1,2-benzothiazole-3-carboxamide?
The canonical SMILES for 4,6-dimethyl-1,2-benzothiazole-3-carboxamide is Cc1cc(C)c2c(C(N)=O)nsc2c1.
What is the InChIKey of 4,6-dimethyl-1,2-benzothiazole-3-carboxamide?
The InChIKey is QEUUNWQNJZZRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2OS/c1-5-3-6(2)8-7(4-5)14-12-9(8)10(11)13/h3-4H,1-2H3,(H2,11,13).
What are the key properties of 4,6-dimethyl-1,2-benzothiazole-3-carboxamide?
4,6-dimethyl-1,2-benzothiazole-3-carboxamide has a molecular weight of 206.27 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-1,2-benzothiazole-3-carboxamide is sourced from PubChem (CID 58497436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).