2-hydroxy-1-(1,3-thiazol-4-yl)propan-1-one

C6H7NO2S — CID 130672271

IUPAC2-hydroxy-1-(1,3-thiazol-4-yl)propan-1-one
SMILESCC(O)C(=O)c1cscn1
InChIInChI=1S/C6H7NO2S/c1-4(8)6(9)5-2-10-3-7-5/h2-4,8H,1H3
InChIKeyONSKGCNWYADZLE-UHFFFAOYSA-N
MW157.19 g/mol
LogP0.71
Rot. Bonds2

About 2-hydroxy-1-(1,3-thiazol-4-yl)propan-1-one

2-hydroxy-1-(1,3-thiazol-4-yl)propan-1-one (PubChem CID 130672271) has the molecular formula C6H7NO2S and a molecular weight of 157.19 g/mol. Its IUPAC name is 2-hydroxy-1-(1,3-thiazol-4-yl)propan-1-one.

Molecular Properties

Compound Name2-hydroxy-1-(1,3-thiazol-4-yl)propan-1-one
PubChem CID130672271
Molecular FormulaC6H7NO2S
Molecular Weight157.19 g/mol
Exact Mass157.02
IUPAC Name2-hydroxy-1-(1,3-thiazol-4-yl)propan-1-one
SMILESCC(O)C(=O)c1cscn1
InChIInChI=1S/C6H7NO2S/c1-4(8)6(9)5-2-10-3-7-5/h2-4,8H,1H3
InChIKeyONSKGCNWYADZLE-UHFFFAOYSA-N
XLogP0.71
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-hydroxy-1-(1,3-thiazol-4-yl)propan-1-one 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

2-phenyl-1-(1,3-thiazol-4-yl)propan-1-one
CID 130610113
2-amino-3,3-dimethyl-1-(1,3-thiazol-4-yl)butan-1-one
CID 131207424
N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 58337725
1,3-thiazole-4-carboxylic acid bromide
CID 53314464
5-methyl-1-(1,3-thiazol-4-yl)hexan-1-one
CID 83161536
2-oxo-2-(1,3-thiazol-4-yl)acetic acid
CID 13187915
N-methyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 175705206
N-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole-4-carboxamide
CID 130767344
N-(4-hydroxybutan-2-yl)-1,3-thiazole-4-carboxamide
CID 81042781
N-(4-methylpentan-2-yl)-1,3-thiazole-4-carboxamide
CID 63038589
N-[2-(2-hydroxyethyl)-4-methylpentyl]-1,3-thiazole-4-carboxamide
CID 111662589
N-(trifluoromethyl)-1,3-thiazole-4-carboxamide
CID 154068900

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-(1,3-thiazol-4-yl)propan-1-one?
The IUPAC name of 2-hydroxy-1-(1,3-thiazol-4-yl)propan-1-one (CID 130672271) is 2-hydroxy-1-(1,3-thiazol-4-yl)propan-1-one.
What is the SMILES notation for 2-hydroxy-1-(1,3-thiazol-4-yl)propan-1-one?
The canonical SMILES for 2-hydroxy-1-(1,3-thiazol-4-yl)propan-1-one is CC(O)C(=O)c1cscn1.
What is the InChIKey of 2-hydroxy-1-(1,3-thiazol-4-yl)propan-1-one?
The InChIKey is ONSKGCNWYADZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2S/c1-4(8)6(9)5-2-10-3-7-5/h2-4,8H,1H3.
What are the key properties of 2-hydroxy-1-(1,3-thiazol-4-yl)propan-1-one?
2-hydroxy-1-(1,3-thiazol-4-yl)propan-1-one has a molecular weight of 157.19 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-(1,3-thiazol-4-yl)propan-1-one is sourced from PubChem (CID 130672271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).