1-(2-amino-4,5-dimethylthiophen-3-yl)ethanone

C8H11NOS — CID 20722966

IUPAC1-(2-amino-4,5-dimethylthiophen-3-yl)ethanone
SMILESCC(=O)c1c(N)sc(C)c1C
InChIInChI=1S/C8H11NOS/c1-4-6(3)11-8(9)7(4)5(2)10/h9H2,1-3H3
InChIKeyNCDFINOMLXPRAQ-UHFFFAOYSA-N
MW169.25 g/mol
LogP2.15
Rot. Bonds1

About 1-(2-amino-4,5-dimethylthiophen-3-yl)ethanone

1-(2-amino-4,5-dimethylthiophen-3-yl)ethanone (PubChem CID 20722966) has the molecular formula C8H11NOS and a molecular weight of 169.25 g/mol. Its IUPAC name is 1-(2-amino-4,5-dimethylthiophen-3-yl)ethanone.

Molecular Properties

Compound Name1-(2-amino-4,5-dimethylthiophen-3-yl)ethanone
PubChem CID20722966
Molecular FormulaC8H11NOS
Molecular Weight169.25 g/mol
Exact Mass169.06
IUPAC Name1-(2-amino-4,5-dimethylthiophen-3-yl)ethanone
SMILESCC(=O)c1c(N)sc(C)c1C
InChIInChI=1S/C8H11NOS/c1-4-6(3)11-8(9)7(4)5(2)10/h9H2,1-3H3
InChIKeyNCDFINOMLXPRAQ-UHFFFAOYSA-N
XLogP2.15
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4H,5H,6H,7H,8H-cyclohepta(b)thiophene-3-carboxamide
CID 2997881
2-amino-4H,5H,6H-cyclopenta[b]thiophene-3-carboxamide
CID 596881
2-Amino-4,5-dimethylthiophene-3-carboxamide
CID 592827
(2-Amino-4,5-dimethylthiophen-3-yl)(phenyl)methanone
CID 615540
1-(2-Amino-4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl)ethan-1-one
CID 12394684
5-Acetyl-2-amino-4-methylthiophene-3-carbonitrile
CID 675983
4-Acetyl-3-methyl-5-(methylthio)thiophene-2-carbothioamide
CID 2820659
(2-Amino-4-ethyl-5-methylthiophen-3-yl)(phenyl)methanone
CID 20605818
2-Amino-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxamide
CID 2887407
1-(2-amino-4H,5H,6H-cyclopenta(b)thiophen-3-yl)ethan-1-one
CID 65354676
2-Amino-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
CID 2887324
1-(2-Amino-4-methylthiophen-3-yl)ethanone
CID 20646875

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4,5-dimethylthiophen-3-yl)ethanone?
The IUPAC name of 1-(2-amino-4,5-dimethylthiophen-3-yl)ethanone (CID 20722966) is 1-(2-amino-4,5-dimethylthiophen-3-yl)ethanone.
What is the SMILES notation for 1-(2-amino-4,5-dimethylthiophen-3-yl)ethanone?
The canonical SMILES for 1-(2-amino-4,5-dimethylthiophen-3-yl)ethanone is CC(=O)c1c(N)sc(C)c1C.
What is the InChIKey of 1-(2-amino-4,5-dimethylthiophen-3-yl)ethanone?
The InChIKey is NCDFINOMLXPRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NOS/c1-4-6(3)11-8(9)7(4)5(2)10/h9H2,1-3H3.
What are the key properties of 1-(2-amino-4,5-dimethylthiophen-3-yl)ethanone?
1-(2-amino-4,5-dimethylthiophen-3-yl)ethanone has a molecular weight of 169.25 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4,5-dimethylthiophen-3-yl)ethanone is sourced from PubChem (CID 20722966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).