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

C6H7NO2S — CID 90178983

IUPAC1-hydroxy-1-(1,3-thiazol-2-yl)propan-2-one
SMILESCC(=O)C(O)c1nccs1
InChIInChI=1S/C6H7NO2S/c1-4(8)5(9)6-7-2-3-10-6/h2-3,5,9H,1H3
InChIKeyWGTONHKIHKLEAB-UHFFFAOYSA-N
MW157.19 g/mol
LogP0.77
Rot. Bonds2

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

1-hydroxy-1-(1,3-thiazol-2-yl)propan-2-one (PubChem CID 90178983) has the molecular formula C6H7NO2S and a molecular weight of 157.19 g/mol. Its IUPAC name is 1-hydroxy-1-(1,3-thiazol-2-yl)propan-2-one.

Molecular Properties

Compound Name1-hydroxy-1-(1,3-thiazol-2-yl)propan-2-one
PubChem CID90178983
Molecular FormulaC6H7NO2S
Molecular Weight157.19 g/mol
Exact Mass157.02
IUPAC Name1-hydroxy-1-(1,3-thiazol-2-yl)propan-2-one
SMILESCC(=O)C(O)c1nccs1
InChIInChI=1S/C6H7NO2S/c1-4(8)5(9)6-7-2-3-10-6/h2-3,5,9H,1H3
InChIKeyWGTONHKIHKLEAB-UHFFFAOYSA-N
XLogP0.77
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 ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-1-(1,3-thiazol-2-yl)propan-2-one?
The IUPAC name of 1-hydroxy-1-(1,3-thiazol-2-yl)propan-2-one (CID 90178983) is 1-hydroxy-1-(1,3-thiazol-2-yl)propan-2-one.
What is the SMILES notation for 1-hydroxy-1-(1,3-thiazol-2-yl)propan-2-one?
The canonical SMILES for 1-hydroxy-1-(1,3-thiazol-2-yl)propan-2-one is CC(=O)C(O)c1nccs1.
What is the InChIKey of 1-hydroxy-1-(1,3-thiazol-2-yl)propan-2-one?
The InChIKey is WGTONHKIHKLEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2S/c1-4(8)5(9)6-7-2-3-10-6/h2-3,5,9H,1H3.
What are the key properties of 1-hydroxy-1-(1,3-thiazol-2-yl)propan-2-one?
1-hydroxy-1-(1,3-thiazol-2-yl)propan-2-one has a molecular weight of 157.19 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1-(1,3-thiazol-2-yl)propan-2-one is sourced from PubChem (CID 90178983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).