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

C15H12N2O3S2 — CID 18126513

IUPAC5-acetyl-N-(6-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
SMILESCOc1ccc2nc(NC(=O)c3ccc(C(C)=O)s3)sc2c1
InChIInChI=1S/C15H12N2O3S2/c1-8(18)11-5-6-12(21-11)14(19)17-15-16-10-4-3-9(20-2)7-13(10)22-15/h3-7H,1-2H3,(H,16,17,19)
InChIKeySEOPYRLBYQYMQM-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.82
Rot. Bonds4

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

5-acetyl-N-(6-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide (PubChem CID 18126513) has the molecular formula C15H12N2O3S2 and a molecular weight of 332.41 g/mol. Its IUPAC name is 5-acetyl-N-(6-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-acetyl-N-(6-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
PubChem CID18126513
Molecular FormulaC15H12N2O3S2
Molecular Weight332.41 g/mol
Exact Mass332.03
IUPAC Name5-acetyl-N-(6-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
SMILESCOc1ccc2nc(NC(=O)c3ccc(C(C)=O)s3)sc2c1
InChIInChI=1S/C15H12N2O3S2/c1-8(18)11-5-6-12(21-11)14(19)17-15-16-10-4-3-9(20-2)7-13(10)22-15/h3-7H,1-2H3,(H,16,17,19)
InChIKeySEOPYRLBYQYMQM-UHFFFAOYSA-N
XLogP3.82
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)benzamide
CID 3515602
methyl 5-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]carbamoyl]thiophene-2-carboxylate
CID 55823981
4-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylthiophene-2-carboxamide
CID 24564369
2-acetamido-N-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 39046251
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-[2-(4-methoxyphenyl)ethyl]benzamide
CID 91335241
2,6-difluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 741712
N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 718596
5-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80617590
2-bromo-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylpropanamide
CID 17244835
N-(6-methoxy-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
CID 863482
N-(6-methoxy-1,3-benzothiazol-2-yl)-3-methyl-1,2-oxazole-5-carboxamide
CID 16879597

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-(6-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?
The IUPAC name of 5-acetyl-N-(6-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide (CID 18126513) is 5-acetyl-N-(6-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-acetyl-N-(6-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-acetyl-N-(6-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide is COc1ccc2nc(NC(=O)c3ccc(C(C)=O)s3)sc2c1.
What is the InChIKey of 5-acetyl-N-(6-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?
The InChIKey is SEOPYRLBYQYMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3S2/c1-8(18)11-5-6-12(21-11)14(19)17-15-16-10-4-3-9(20-2)7-13(10)22-15/h3-7H,1-2H3,(H,16,17,19).
What are the key properties of 5-acetyl-N-(6-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?
5-acetyl-N-(6-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide has a molecular weight of 332.41 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-(6-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 18126513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).