2-[(5-acetylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide

C11H10N2O2S2 — CID 67496532

IUPAC2-[(5-acetylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESCC(=O)c1ccc(Cc2nc(C(N)=O)cs2)s1
InChIInChI=1S/C11H10N2O2S2/c1-6(14)9-3-2-7(17-9)4-10-13-8(5-16-10)11(12)15/h2-3,5H,4H2,1H3,(H2,12,15)
InChIKeyWWNLXLYBGPQADQ-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.10
Rot. Bonds4

About 2-[(5-acetylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide

2-[(5-acetylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 67496532) has the molecular formula C11H10N2O2S2 and a molecular weight of 266.35 g/mol. Its IUPAC name is 2-[(5-acetylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(5-acetylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID67496532
Molecular FormulaC11H10N2O2S2
Molecular Weight266.35 g/mol
Exact Mass266.02
IUPAC Name2-[(5-acetylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESCC(=O)c1ccc(Cc2nc(C(N)=O)cs2)s1
InChIInChI=1S/C11H10N2O2S2/c1-6(14)9-3-2-7(17-9)4-10-13-8(5-16-10)11(12)15/h2-3,5H,4H2,1H3,(H2,12,15)
InChIKeyWWNLXLYBGPQADQ-UHFFFAOYSA-N
XLogP2.10
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-acetylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(5-acetylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide (CID 67496532) is 2-[(5-acetylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(5-acetylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(5-acetylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide is CC(=O)c1ccc(Cc2nc(C(N)=O)cs2)s1.
What is the InChIKey of 2-[(5-acetylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is WWNLXLYBGPQADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2S2/c1-6(14)9-3-2-7(17-9)4-10-13-8(5-16-10)11(12)15/h2-3,5H,4H2,1H3,(H2,12,15).
What are the key properties of 2-[(5-acetylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide?
2-[(5-acetylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 266.35 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-acetylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 67496532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).