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

C13H10N2OS2 — CID 112525687

IUPACN-(1,3-benzothiazol-5-yl)-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1ccc2scnc2c1
InChIInChI=1S/C13H10N2OS2/c1-8-4-5-17-12(8)13(16)15-9-2-3-11-10(6-9)14-7-18-11/h2-7H,1H3,(H,15,16)
InChIKeyHOHCTORGTPDTIH-UHFFFAOYSA-N
MW274.37 g/mol
LogP3.92
Rot. Bonds2

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

N-(1,3-benzothiazol-5-yl)-3-methylthiophene-2-carboxamide (PubChem CID 112525687) has the molecular formula C13H10N2OS2 and a molecular weight of 274.37 g/mol. Its IUPAC name is N-(1,3-benzothiazol-5-yl)-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-5-yl)-3-methylthiophene-2-carboxamide
PubChem CID112525687
Molecular FormulaC13H10N2OS2
Molecular Weight274.37 g/mol
Exact Mass274.02
IUPAC NameN-(1,3-benzothiazol-5-yl)-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1ccc2scnc2c1
InChIInChI=1S/C13H10N2OS2/c1-8-4-5-17-12(8)13(16)15-9-2-3-11-10(6-9)14-7-18-11/h2-7H,1H3,(H,15,16)
InChIKeyHOHCTORGTPDTIH-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-(1,3-benzothiazol-5-yl)-2,5-dimethylbenzamide
CID 16811077
N-(1,3-benzothiazol-5-yl)-1,3-benzothiazole-5-carboxamide
CID 131934820
3-methyl-N-(1-methylbenzimidazol-5-yl)thiophene-2-carboxamide
CID 112527462
3-methyl-N-pyridin-4-ylthiophene-2-carboxamide
CID 30388319
N-(3-amino-4-methylphenyl)-3-methylthiophene-2-carboxamide
CID 24690358
N-(4-hydroxyphenyl)-3-methylthiophene-2-carboxamide
CID 28739515
N-(3-bromophenyl)-3-methylthiophene-2-carboxamide
CID 3480316
N-(1,3-benzothiazol-5-yl)-2,5-dichlorothiophene-3-carboxamide
CID 16804006
2-bromo-5-[(3-methylthiophene-2-carbonyl)amino]benzoic acid
CID 113281020
N-(1,3-benzothiazol-5-yl)-3,4,5-trimethoxybenzamide
CID 18585505
5-N-(1,3-benzothiazol-5-yl)-2-N-(4-methoxy-2-methylphenyl)thiophene-2,5-dicarboxamide
CID 58816268
N-(1,3-benzothiazol-5-yl)-4-[methyl(prop-2-enoyl)amino]benzamide
CID 166413965

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-5-yl)-3-methylthiophene-2-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-5-yl)-3-methylthiophene-2-carboxamide (CID 112525687) is N-(1,3-benzothiazol-5-yl)-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-5-yl)-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-5-yl)-3-methylthiophene-2-carboxamide is Cc1ccsc1C(=O)Nc1ccc2scnc2c1.
What is the InChIKey of N-(1,3-benzothiazol-5-yl)-3-methylthiophene-2-carboxamide?
The InChIKey is HOHCTORGTPDTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2OS2/c1-8-4-5-17-12(8)13(16)15-9-2-3-11-10(6-9)14-7-18-11/h2-7H,1H3,(H,15,16).
What are the key properties of N-(1,3-benzothiazol-5-yl)-3-methylthiophene-2-carboxamide?
N-(1,3-benzothiazol-5-yl)-3-methylthiophene-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-(1,3-benzothiazol-5-yl)-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 112525687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).