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

C13H10N2OS2 — CID 739615

IUPACN-(6-methyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
SMILESCc1ccc2nc(NC(=O)c3cccs3)sc2c1
InChIInChI=1S/C13H10N2OS2/c1-8-4-5-9-11(7-8)18-13(14-9)15-12(16)10-3-2-6-17-10/h2-7H,1H3,(H,14,15,16)
InChIKeyWWHQWVQIQOJOSU-UHFFFAOYSA-N
MW274.37 g/mol
LogP3.92
Rot. Bonds2

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

N-(6-methyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide (PubChem CID 739615) has the molecular formula C13H10N2OS2 and a molecular weight of 274.37 g/mol. Its IUPAC name is N-(6-methyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(6-methyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
PubChem CID739615
Molecular FormulaC13H10N2OS2
Molecular Weight274.37 g/mol
Exact Mass274.02
IUPAC NameN-(6-methyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
SMILESCc1ccc2nc(NC(=O)c3cccs3)sc2c1
InChIInChI=1S/C13H10N2OS2/c1-8-4-5-9-11(7-8)18-13(14-9)15-12(16)10-3-2-6-17-10/h2-7H,1H3,(H,14,15,16)
InChIKeyWWHQWVQIQOJOSU-UHFFFAOYSA-N
XLogP3.92
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?
The IUPAC name of N-(6-methyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide (CID 739615) is N-(6-methyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(6-methyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(6-methyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide is Cc1ccc2nc(NC(=O)c3cccs3)sc2c1.
What is the InChIKey of N-(6-methyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?
The InChIKey is WWHQWVQIQOJOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2OS2/c1-8-4-5-9-11(7-8)18-13(14-9)15-12(16)10-3-2-6-17-10/h2-7H,1H3,(H,14,15,16).
What are the key properties of N-(6-methyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?
N-(6-methyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide has a molecular weight of 274.37 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 739615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).