1-(2-aminothiophen-3-yl)-2-hydroxyethanone

C6H7NO2S — CID 168849836

IUPAC1-(2-aminothiophen-3-yl)-2-hydroxyethanone
SMILESNc1sccc1C(=O)CO
InChIInChI=1S/C6H7NO2S/c7-6-4(1-2-10-6)5(9)3-8/h1-2,8H,3,7H2
InChIKeyOKRKXPGRPHZTFQ-UHFFFAOYSA-N
MW157.19 g/mol
LogP0.51
Rot. Bonds2

About 1-(2-aminothiophen-3-yl)-2-hydroxyethanone

1-(2-aminothiophen-3-yl)-2-hydroxyethanone (PubChem CID 168849836) has the molecular formula C6H7NO2S and a molecular weight of 157.19 g/mol. Its IUPAC name is 1-(2-aminothiophen-3-yl)-2-hydroxyethanone.

Molecular Properties

Compound Name1-(2-aminothiophen-3-yl)-2-hydroxyethanone
PubChem CID168849836
Molecular FormulaC6H7NO2S
Molecular Weight157.19 g/mol
Exact Mass157.02
IUPAC Name1-(2-aminothiophen-3-yl)-2-hydroxyethanone
SMILESNc1sccc1C(=O)CO
InChIInChI=1S/C6H7NO2S/c7-6-4(1-2-10-6)5(9)3-8/h1-2,8H,3,7H2
InChIKeyOKRKXPGRPHZTFQ-UHFFFAOYSA-N
XLogP0.51
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2-aminothiophen-3-yl)-2-hydroxyethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-aminothiophen-3-yl)-2-(methylamino)ethanone
CID 82412375
1-(2-aminothiophen-3-yl)ethanone
CID 19908024
2-aminothiophene-3-carboxylic acid;cyclohexane
CID 22053869
(2-aminothiophen-3-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 12630812
(4-methylphenyl) 2-aminothiophene-3-carboxylate
CID 117213533
methyl 4-(2-aminothiophene-3-carbonyl)benzoate
CID 59783735
propanoic acid;thiophene-2,3-diamine
CID 174351505
1-(2-amino-5-methylphenyl)-2-hydroxyethanone
CID 56999541
1-(2-amino-4-bromophenyl)-2-hydroxyethanone
CID 155640752
2-amino-N-pyridin-2-ylthiophene-3-carboxamide
CID 67028801
1-(4-aminophenyl)-2-hydroxyethanone
CID 19755805
2-aminothiophene-3-carboxylic acid;butylcyclohexane
CID 22053855

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminothiophen-3-yl)-2-hydroxyethanone?
The IUPAC name of 1-(2-aminothiophen-3-yl)-2-hydroxyethanone (CID 168849836) is 1-(2-aminothiophen-3-yl)-2-hydroxyethanone.
What is the SMILES notation for 1-(2-aminothiophen-3-yl)-2-hydroxyethanone?
The canonical SMILES for 1-(2-aminothiophen-3-yl)-2-hydroxyethanone is Nc1sccc1C(=O)CO.
What is the InChIKey of 1-(2-aminothiophen-3-yl)-2-hydroxyethanone?
The InChIKey is OKRKXPGRPHZTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2S/c7-6-4(1-2-10-6)5(9)3-8/h1-2,8H,3,7H2.
What are the key properties of 1-(2-aminothiophen-3-yl)-2-hydroxyethanone?
1-(2-aminothiophen-3-yl)-2-hydroxyethanone has a molecular weight of 157.19 g/mol, XLogP of 0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminothiophen-3-yl)-2-hydroxyethanone is sourced from PubChem (CID 168849836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).