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

C13H10N2OS2 — CID 1245575

IUPACN-(1,3-benzothiazol-2-yl)-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)Nc2nc3ccccc3s2)s1
InChIInChI=1S/C13H10N2OS2/c1-8-6-7-11(17-8)12(16)15-13-14-9-4-2-3-5-10(9)18-13/h2-7H,1H3,(H,14,15,16)
InChIKeyIVAQBRLWAHPZPQ-UHFFFAOYSA-N
MW274.37 g/mol
LogP3.92
Rot. Bonds2

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

N-(1,3-benzothiazol-2-yl)-5-methylthiophene-2-carboxamide (PubChem CID 1245575) has the molecular formula C13H10N2OS2 and a molecular weight of 274.37 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-5-methylthiophene-2-carboxamide
PubChem CID1245575
Molecular FormulaC13H10N2OS2
Molecular Weight274.37 g/mol
Exact Mass274.02
IUPAC NameN-(1,3-benzothiazol-2-yl)-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)Nc2nc3ccccc3s2)s1
InChIInChI=1S/C13H10N2OS2/c1-8-6-7-11(17-8)12(16)15-13-14-9-4-2-3-5-10(9)18-13/h2-7H,1H3,(H,14,15,16)
InChIKeyIVAQBRLWAHPZPQ-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

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CID 16007
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N-2-Benzothiazolylbenzeneacetamide
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N-(6-methanesulfonyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
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N-Benzothiazol-2-yl-benzamide
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CID 726342
Benzamide, N-2-benzothiazolyl-4-fluoro-
CID 749175
N-(6-fluoro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 953485
2-(Acetoacetamido)benzothiazole
CID 20820
S-(2-(2-Benzothiazolylamino)-2-oxoethyl) ethanethioate
CID 112568
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CID 722343

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-5-methylthiophene-2-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-5-methylthiophene-2-carboxamide (CID 1245575) is N-(1,3-benzothiazol-2-yl)-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-5-methylthiophene-2-carboxamide is Cc1ccc(C(=O)Nc2nc3ccccc3s2)s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-5-methylthiophene-2-carboxamide?
The InChIKey is IVAQBRLWAHPZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2OS2/c1-8-6-7-11(17-8)12(16)15-13-14-9-4-2-3-5-10(9)18-13/h2-7H,1H3,(H,14,15,16).
What are the key properties of N-(1,3-benzothiazol-2-yl)-5-methylthiophene-2-carboxamide?
N-(1,3-benzothiazol-2-yl)-5-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-2-yl)-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 1245575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).