N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide

C11H10N2O2S2 — CID 734129

IUPACN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide
SMILESCC(=O)c1sc(NC(=O)c2cccs2)nc1C
InChIInChI=1S/C11H10N2O2S2/c1-6-9(7(2)14)17-11(12-6)13-10(15)8-4-3-5-16-8/h3-5H,1-2H3,(H,12,13,15)
InChIKeyQSOXBOWSSRQVSF-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.97
Rot. Bonds3

About N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide

N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide (PubChem CID 734129) has the molecular formula C11H10N2O2S2 and a molecular weight of 266.35 g/mol. Its IUPAC name is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide
PubChem CID734129
Molecular FormulaC11H10N2O2S2
Molecular Weight266.35 g/mol
Exact Mass266.02
IUPAC NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide
SMILESCC(=O)c1sc(NC(=O)c2cccs2)nc1C
InChIInChI=1S/C11H10N2O2S2/c1-6-9(7(2)14)17-11(12-6)13-10(15)8-4-3-5-16-8/h3-5H,1-2H3,(H,12,13,15)
InChIKeyQSOXBOWSSRQVSF-UHFFFAOYSA-N
XLogP2.97
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide?
The IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide (CID 734129) is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide is CC(=O)c1sc(NC(=O)c2cccs2)nc1C.
What is the InChIKey of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide?
The InChIKey is QSOXBOWSSRQVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2S2/c1-6-9(7(2)14)17-11(12-6)13-10(15)8-4-3-5-16-8/h3-5H,1-2H3,(H,12,13,15).
What are the key properties of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide?
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide has a molecular weight of 266.35 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 734129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).