N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylacetamide

C12H12N2O2S2 — CID 2474436

IUPACN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylacetamide
SMILESCC(=O)c1sc(NC(=O)Cc2cccs2)nc1C
InChIInChI=1S/C12H12N2O2S2/c1-7-11(8(2)15)18-12(13-7)14-10(16)6-9-4-3-5-17-9/h3-5H,6H2,1-2H3,(H,13,14,16)
InChIKeyLDDPKANLJKVJGP-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.90
Rot. Bonds4

About N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylacetamide

N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylacetamide (PubChem CID 2474436) has the molecular formula C12H12N2O2S2 and a molecular weight of 280.37 g/mol. Its IUPAC name is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylacetamide
PubChem CID2474436
Molecular FormulaC12H12N2O2S2
Molecular Weight280.37 g/mol
Exact Mass280.03
IUPAC NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylacetamide
SMILESCC(=O)c1sc(NC(=O)Cc2cccs2)nc1C
InChIInChI=1S/C12H12N2O2S2/c1-7-11(8(2)15)18-12(13-7)14-10(16)6-9-4-3-5-17-9/h3-5H,6H2,1-2H3,(H,13,14,16)
InChIKeyLDDPKANLJKVJGP-UHFFFAOYSA-N
XLogP2.90
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_E(2)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylacetamide?
The IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylacetamide (CID 2474436) is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylacetamide is CC(=O)c1sc(NC(=O)Cc2cccs2)nc1C.
What is the InChIKey of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylacetamide?
The InChIKey is LDDPKANLJKVJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S2/c1-7-11(8(2)15)18-12(13-7)14-10(16)6-9-4-3-5-17-9/h3-5H,6H2,1-2H3,(H,13,14,16).
What are the key properties of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylacetamide?
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylacetamide has a molecular weight of 280.37 g/mol, XLogP of 2.90, 4 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)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 2474436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).