N-(2-methyl-1,3-benzothiazol-5-yl)thiophene-2-carboxamide

C13H10N2OS2 — CID 110442376

IUPACN-(2-methyl-1,3-benzothiazol-5-yl)thiophene-2-carboxamide
SMILESCc1nc2cc(NC(=O)c3cccs3)ccc2s1
InChIInChI=1S/C13H10N2OS2/c1-8-14-10-7-9(4-5-11(10)18-8)15-13(16)12-3-2-6-17-12/h2-7H,1H3,(H,15,16)
InChIKeyPATQALCFJMDJNA-UHFFFAOYSA-N
MW274.37 g/mol
LogP3.92
Rot. Bonds2

About N-(2-methyl-1,3-benzothiazol-5-yl)thiophene-2-carboxamide

N-(2-methyl-1,3-benzothiazol-5-yl)thiophene-2-carboxamide (PubChem CID 110442376) has the molecular formula C13H10N2OS2 and a molecular weight of 274.37 g/mol. Its IUPAC name is N-(2-methyl-1,3-benzothiazol-5-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-benzothiazol-5-yl)thiophene-2-carboxamide
PubChem CID110442376
Molecular FormulaC13H10N2OS2
Molecular Weight274.37 g/mol
Exact Mass274.02
IUPAC NameN-(2-methyl-1,3-benzothiazol-5-yl)thiophene-2-carboxamide
SMILESCc1nc2cc(NC(=O)c3cccs3)ccc2s1
InChIInChI=1S/C13H10N2OS2/c1-8-14-10-7-9(4-5-11(10)18-8)15-13(16)12-3-2-6-17-12/h2-7H,1H3,(H,15,16)
InChIKeyPATQALCFJMDJNA-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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Related Compounds

N-[2-(propanoylamino)-1,3-benzothiazol-5-yl]thiophene-2-carboxamide
CID 46328581
N-(2,3-dimethylquinoxalin-6-yl)thiophene-2-carboxamide
CID 110723801
N-[4-methyl-3-(thiophene-2-carbonylamino)phenyl]thiophene-2-carboxamide
CID 838783
N-(3-methyl-2H-indazol-5-yl)thiophene-2-carboxamide
CID 123632210
N-(5,6-dimethyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 7524846
N-(3-hydroxy-4-methylphenyl)thiophene-2-carboxamide
CID 64794383
5-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)-1,3-oxazole-2-carboxamide
CID 112525625
3-fluoro-4-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzamide
CID 11301035
1-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)pyrazole-3-carboxamide
CID 42110934
ethyl 5-(thiophene-2-carbonylamino)-1-benzothiophene-2-carboxylate
CID 46404316
N-(2-methyl-1,3-benzothiazol-5-yl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 90502732
1-(3,4-dihydroxyphenyl)-3-(2-methyl-1,3-benzothiazol-5-yl)urea
CID 142259708

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-benzothiazol-5-yl)thiophene-2-carboxamide?
The IUPAC name of N-(2-methyl-1,3-benzothiazol-5-yl)thiophene-2-carboxamide (CID 110442376) is N-(2-methyl-1,3-benzothiazol-5-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(2-methyl-1,3-benzothiazol-5-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(2-methyl-1,3-benzothiazol-5-yl)thiophene-2-carboxamide is Cc1nc2cc(NC(=O)c3cccs3)ccc2s1.
What is the InChIKey of N-(2-methyl-1,3-benzothiazol-5-yl)thiophene-2-carboxamide?
The InChIKey is PATQALCFJMDJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2OS2/c1-8-14-10-7-9(4-5-11(10)18-8)15-13(16)12-3-2-6-17-12/h2-7H,1H3,(H,15,16).
What are the key properties of N-(2-methyl-1,3-benzothiazol-5-yl)thiophene-2-carboxamide?
N-(2-methyl-1,3-benzothiazol-5-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-(2-methyl-1,3-benzothiazol-5-yl)thiophene-2-carboxamide is sourced from PubChem (CID 110442376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).