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

C15H12N2O2S2 — CID 18089639

IUPAC5-acetyl-N-(2-methyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
SMILESCC(=O)c1ccc(C(=O)Nc2ccc3nc(C)sc3c2)s1
InChIInChI=1S/C15H12N2O2S2/c1-8(18)12-5-6-13(21-12)15(19)17-10-3-4-11-14(7-10)20-9(2)16-11/h3-7H,1-2H3,(H,17,19)
InChIKeyVNDGTAOMRNLJCA-UHFFFAOYSA-N
MW316.41 g/mol
LogP4.12
Rot. Bonds3

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

5-acetyl-N-(2-methyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide (PubChem CID 18089639) has the molecular formula C15H12N2O2S2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 5-acetyl-N-(2-methyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-acetyl-N-(2-methyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
PubChem CID18089639
Molecular FormulaC15H12N2O2S2
Molecular Weight316.41 g/mol
Exact Mass316.03
IUPAC Name5-acetyl-N-(2-methyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
SMILESCC(=O)c1ccc(C(=O)Nc2ccc3nc(C)sc3c2)s1
InChIInChI=1S/C15H12N2O2S2/c1-8(18)12-5-6-13(21-12)15(19)17-10-3-4-11-14(7-10)20-9(2)16-11/h3-7H,1-2H3,(H,17,19)
InChIKeyVNDGTAOMRNLJCA-UHFFFAOYSA-N
XLogP4.12
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-acetyl-N-(3-chloro-4-methylphenyl)thiophene-2-carboxamide
CID 18089373
5-acetyl-N-(3,4-dichlorophenyl)thiophene-2-carboxamide
CID 9071635
N-(2-methyl-1,3-benzothiazol-6-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 8780534
5-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)furan-2-carboxamide
CID 4800129
3-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
CID 7915285
6-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)pyridazine-3-carboxamide
CID 61042126
N-(2-methyl-1,3-benzothiazol-6-yl)-4-phenylbenzamide
CID 3386636
2-bromo-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 60651842
N-(2-acetamido-1,3-benzothiazol-6-yl)-5-bromothiophene-2-carboxamide
CID 55769726
2,3,4-trifluoro-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
CID 30152613
2-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 31529238
1-(2-methyl-1,3-benzothiazol-6-yl)-3-propan-2-ylurea
CID 3566433

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-(2-methyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide?
The IUPAC name of 5-acetyl-N-(2-methyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide (CID 18089639) is 5-acetyl-N-(2-methyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-acetyl-N-(2-methyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-acetyl-N-(2-methyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide is CC(=O)c1ccc(C(=O)Nc2ccc3nc(C)sc3c2)s1.
What is the InChIKey of 5-acetyl-N-(2-methyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide?
The InChIKey is VNDGTAOMRNLJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S2/c1-8(18)12-5-6-13(21-12)15(19)17-10-3-4-11-14(7-10)20-9(2)16-11/h3-7H,1-2H3,(H,17,19).
What are the key properties of 5-acetyl-N-(2-methyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide?
5-acetyl-N-(2-methyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide has a molecular weight of 316.41 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-(2-methyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide is sourced from PubChem (CID 18089639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).