3-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide

C14H12N2OS2 — CID 2090359

IUPAC3-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
SMILESCc1nc2ccc(NC(=O)c3sccc3C)cc2s1
InChIInChI=1S/C14H12N2OS2/c1-8-5-6-18-13(8)14(17)16-10-3-4-11-12(7-10)19-9(2)15-11/h3-7H,1-2H3,(H,16,17)
InChIKeyWGCCUIYJUFSROV-UHFFFAOYSA-N
MW288.40 g/mol
LogP4.23
Rot. Bonds2

About 3-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide

3-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide (PubChem CID 2090359) has the molecular formula C14H12N2OS2 and a molecular weight of 288.40 g/mol. Its IUPAC name is 3-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
PubChem CID2090359
Molecular FormulaC14H12N2OS2
Molecular Weight288.40 g/mol
Exact Mass288.04
IUPAC Name3-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
SMILESCc1nc2ccc(NC(=O)c3sccc3C)cc2s1
InChIInChI=1S/C14H12N2OS2/c1-8-5-6-18-13(8)14(17)16-10-3-4-11-12(7-10)19-9(2)15-11/h3-7H,1-2H3,(H,16,17)
InChIKeyWGCCUIYJUFSROV-UHFFFAOYSA-N
XLogP4.23
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(2-Methyl-6-benzothiazolyl)acetamide
CID 596481
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
CID 726754
N-[3-(1,3-benzothiazol-2-yl)-4-methyl-2-thienyl]acetamide
CID 2809628
Acetamide, N-(4-(2-benzothiazolyl)phenyl)-
CID 233871
5-Ethyl-6-methyl-3-((2-benzothiazolyl)ethyl)-2-pyridinone
CID 453438
N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]thiophene-2-carboxamide
CID 3574419
2,3,4,5,6-Pentafluoro-N-(2-sulfamoyl-benzothiazol-6-yl)-benzamide
CID 10574278
N-(6-acetamido-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 972844
2-(1,3-benzothiazol-2-yl)-N-tert-butylbenzamide
CID 2078423
2-(2-fluorophenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 2079669
2-(3-fluorophenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 2085164
N-(2-methyl-1,3-benzothiazol-6-yl)-2-phenylsulfanylacetamide
CID 2529752

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide?
The IUPAC name of 3-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide (CID 2090359) is 3-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide.
What is the SMILES notation for 3-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide?
The canonical SMILES for 3-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide is Cc1nc2ccc(NC(=O)c3sccc3C)cc2s1.
What is the InChIKey of 3-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide?
The InChIKey is WGCCUIYJUFSROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS2/c1-8-5-6-18-13(8)14(17)16-10-3-4-11-12(7-10)19-9(2)15-11/h3-7H,1-2H3,(H,16,17).
What are the key properties of 3-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide?
3-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide has a molecular weight of 288.40 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide is sourced from PubChem (CID 2090359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).