5-acetyl-2-amino-4-methylthiophene-3-carboxamide

C8H10N2O2S — CID 1271564

IUPAC5-acetyl-2-amino-4-methylthiophene-3-carboxamide
SMILESCC(=O)c1sc(N)c(C(N)=O)c1C
InChIInChI=1S/C8H10N2O2S/c1-3-5(7(9)12)8(10)13-6(3)4(2)11/h10H2,1-2H3,(H2,9,12)
InChIKeyKBRGADOLGGRECO-UHFFFAOYSA-N
MW198.25 g/mol
LogP0.94
Rot. Bonds2

About 5-acetyl-2-amino-4-methylthiophene-3-carboxamide

5-acetyl-2-amino-4-methylthiophene-3-carboxamide (PubChem CID 1271564) has the molecular formula C8H10N2O2S and a molecular weight of 198.25 g/mol. Its IUPAC name is 5-acetyl-2-amino-4-methylthiophene-3-carboxamide.

Molecular Properties

Compound Name5-acetyl-2-amino-4-methylthiophene-3-carboxamide
PubChem CID1271564
Molecular FormulaC8H10N2O2S
Molecular Weight198.25 g/mol
Exact Mass198.05
IUPAC Name5-acetyl-2-amino-4-methylthiophene-3-carboxamide
SMILESCC(=O)c1sc(N)c(C(N)=O)c1C
InChIInChI=1S/C8H10N2O2S/c1-3-5(7(9)12)8(10)13-6(3)4(2)11/h10H2,1-2H3,(H2,9,12)
InChIKeyKBRGADOLGGRECO-UHFFFAOYSA-N
XLogP0.94
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Aa(45)', 'substructure': 'N/A'}

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Related Compounds

2-amino-5-carbamoyl-4-methylthiophene-3-carboxylic acid
CID 82397516
5-amino-2-N-ethyl-3-methylthiophene-2,4-dicarboxamide
CID 64975341
methyl 4-acetyl-5-amino-3-methylthiophene-2-carboxylate
CID 65354883
5-amino-3-methyl-4-(2-methylpropanoyl)thiophene-2-carboxamide
CID 65354992
5-acetyl-2-amino-4-phenylthiophene-3-carboxamide
CID 14362248
2-amino-5-[2-(4-isocyanophenyl)acetyl]-4-methylthiophene-3-carboxamide
CID 159629307
5-acetyl-4-amino-2-methylsulfanylthiophene-3-carboxamide
CID 103526621
5-acetyl-2-bromo-4-methylthiophene-3-carboxylic acid
CID 68522636
2-amino-5-[(Z)-N-[(3-hydroxynaphthalene-2-carbonyl)amino]-C-methylcarbonimidoyl]-4-methylthiophene-3-carboxamide
CID 6063694
5-acetyl-2-amino-4-methyl-N-[3-(trifluoromethyl)phenyl]thiophene-3-carboxamide
CID 4764229
methyl 5-amino-4-(dimethylcarbamoyl)-3-methylthiophene-2-carboxylate
CID 64899109
5-amino-N,3-dimethyl-4-(pyrrolidine-1-carbonyl)thiophene-2-carboxamide
CID 64975435

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-2-amino-4-methylthiophene-3-carboxamide?
The IUPAC name of 5-acetyl-2-amino-4-methylthiophene-3-carboxamide (CID 1271564) is 5-acetyl-2-amino-4-methylthiophene-3-carboxamide.
What is the SMILES notation for 5-acetyl-2-amino-4-methylthiophene-3-carboxamide?
The canonical SMILES for 5-acetyl-2-amino-4-methylthiophene-3-carboxamide is CC(=O)c1sc(N)c(C(N)=O)c1C.
What is the InChIKey of 5-acetyl-2-amino-4-methylthiophene-3-carboxamide?
The InChIKey is KBRGADOLGGRECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2S/c1-3-5(7(9)12)8(10)13-6(3)4(2)11/h10H2,1-2H3,(H2,9,12).
What are the key properties of 5-acetyl-2-amino-4-methylthiophene-3-carboxamide?
5-acetyl-2-amino-4-methylthiophene-3-carboxamide has a molecular weight of 198.25 g/mol, XLogP of 0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-2-amino-4-methylthiophene-3-carboxamide is sourced from PubChem (CID 1271564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).