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

C14H12N2OS2 — CID 2467706

IUPAC5-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc3nc(C)sc3c2)s1
InChIInChI=1S/C14H12N2OS2/c1-8-3-6-12(18-8)14(17)16-10-4-5-11-13(7-10)19-9(2)15-11/h3-7H,1-2H3,(H,16,17)
InChIKeyYAHMPHOOKMWOTF-UHFFFAOYSA-N
MW288.40 g/mol
LogP4.23
Rot. Bonds2

About 5-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide

5-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide (PubChem CID 2467706) has the molecular formula C14H12N2OS2 and a molecular weight of 288.40 g/mol. Its IUPAC name is 5-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
PubChem CID2467706
Molecular FormulaC14H12N2OS2
Molecular Weight288.40 g/mol
Exact Mass288.04
IUPAC Name5-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc3nc(C)sc3c2)s1
InChIInChI=1S/C14H12N2OS2/c1-8-3-6-12(18-8)14(17)16-10-4-5-11-13(7-10)19-9(2)15-11/h3-7H,1-2H3,(H,16,17)
InChIKeyYAHMPHOOKMWOTF-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

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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
N-(1,3-benzothiazol-2-yl)-2-thiophenecarboxamide
CID 843289
5-Ethyl-6-methyl-3-((2-benzothiazolyl)ethyl)-2-pyridinone
CID 453438
N-(6-acetamido-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 972844
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-methylsulfanyl-1,3-benzothiazol-6-yl)pyridine-2-carboxamide
CID 2091523
N-(2-methyl-1,3-benzothiazol-6-yl)-2-phenylsulfanylacetamide
CID 2529752
F0725-0480
CID 2880652
n-(2-Methylbenzo[d]thiazol-6-yl)-4-nitrobenzamide
CID 739314

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide?
The IUPAC name of 5-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide (CID 2467706) is 5-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide is Cc1ccc(C(=O)Nc2ccc3nc(C)sc3c2)s1.
What is the InChIKey of 5-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide?
The InChIKey is YAHMPHOOKMWOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS2/c1-8-3-6-12(18-8)14(17)16-10-4-5-11-13(7-10)19-9(2)15-11/h3-7H,1-2H3,(H,16,17).
What are the key properties of 5-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide?
5-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 5-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide is sourced from PubChem (CID 2467706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).