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

C7H9NO2S — CID 130906323

IUPAC2-hydroxy-1-(2-methyl-1,3-thiazol-4-yl)propan-1-one
SMILESCc1nc(C(=O)C(C)O)cs1
InChIInChI=1S/C7H9NO2S/c1-4(9)7(10)6-3-11-5(2)8-6/h3-4,9H,1-2H3
InChIKeyAFIJVSZDGYGLPL-UHFFFAOYSA-N
MW171.22 g/mol
LogP1.02
Rot. Bonds2

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

2-hydroxy-1-(2-methyl-1,3-thiazol-4-yl)propan-1-one (PubChem CID 130906323) has the molecular formula C7H9NO2S and a molecular weight of 171.22 g/mol. Its IUPAC name is 2-hydroxy-1-(2-methyl-1,3-thiazol-4-yl)propan-1-one.

Molecular Properties

Compound Name2-hydroxy-1-(2-methyl-1,3-thiazol-4-yl)propan-1-one
PubChem CID130906323
Molecular FormulaC7H9NO2S
Molecular Weight171.22 g/mol
Exact Mass171.04
IUPAC Name2-hydroxy-1-(2-methyl-1,3-thiazol-4-yl)propan-1-one
SMILESCc1nc(C(=O)C(C)O)cs1
InChIInChI=1S/C7H9NO2S/c1-4(9)7(10)6-3-11-5(2)8-6/h3-4,9H,1-2H3
InChIKeyAFIJVSZDGYGLPL-UHFFFAOYSA-N
XLogP1.02
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-2-hydroxy-1-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 131204307
methyl 2-methyl-1,3-thiazole-4-carboxylate
CID 14812829
N,2-dimethyl-1,3-thiazole-4-carboxamide;methanol
CID 90101890
2-[methyl-(2-methyl-1,3-thiazole-4-carbonyl)amino]propanoic acid
CID 65199404
N-(4-hydroxybutan-2-yl)-2-methyl-1,3-thiazole-4-carboxamide
CID 81048571
N-(3-hydroxy-2-methylpropyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 65198786
N-[(2R)-1-hydroxybutan-2-yl]-2-methyl-1,3-thiazole-4-carboxamide
CID 103920000
N-[(2S)-1-aminopropan-2-yl]-2-methyl-1,3-thiazole-4-carboxamide;hydrochloride
CID 131019261
2,2-difluoro-1-(2-methyl-1,3-thiazol-4-yl)propan-1-one
CID 131182360
ethyl (2S)-2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]propanoate
CID 94211552
N-(1-amino-1-hydroxyiminopropan-2-yl)-2-methyl-1,3-thiazole-4-carboxamide
CID 77059386
N-(2-hydroxyethyl)-2-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 65199061

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-(2-methyl-1,3-thiazol-4-yl)propan-1-one?
The IUPAC name of 2-hydroxy-1-(2-methyl-1,3-thiazol-4-yl)propan-1-one (CID 130906323) is 2-hydroxy-1-(2-methyl-1,3-thiazol-4-yl)propan-1-one.
What is the SMILES notation for 2-hydroxy-1-(2-methyl-1,3-thiazol-4-yl)propan-1-one?
The canonical SMILES for 2-hydroxy-1-(2-methyl-1,3-thiazol-4-yl)propan-1-one is Cc1nc(C(=O)C(C)O)cs1.
What is the InChIKey of 2-hydroxy-1-(2-methyl-1,3-thiazol-4-yl)propan-1-one?
The InChIKey is AFIJVSZDGYGLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2S/c1-4(9)7(10)6-3-11-5(2)8-6/h3-4,9H,1-2H3.
What are the key properties of 2-hydroxy-1-(2-methyl-1,3-thiazol-4-yl)propan-1-one?
2-hydroxy-1-(2-methyl-1,3-thiazol-4-yl)propan-1-one has a molecular weight of 171.22 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-(2-methyl-1,3-thiazol-4-yl)propan-1-one is sourced from PubChem (CID 130906323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).