1-cyclohexyl-1-hydroxy-3-(1,3-thiazol-5-yl)propan-2-one

C12H17NO2S — CID 103457418

IUPAC1-cyclohexyl-1-hydroxy-3-(1,3-thiazol-5-yl)propan-2-one
SMILESO=C(Cc1cncs1)C(O)C1CCCCC1
InChIInChI=1S/C12H17NO2S/c14-11(6-10-7-13-8-16-10)12(15)9-4-2-1-3-5-9/h7-9,12,15H,1-6H2
InChIKeyFZHLPTGCZAEGNC-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.20
Rot. Bonds4

About 1-cyclohexyl-1-hydroxy-3-(1,3-thiazol-5-yl)propan-2-one

1-cyclohexyl-1-hydroxy-3-(1,3-thiazol-5-yl)propan-2-one (PubChem CID 103457418) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is 1-cyclohexyl-1-hydroxy-3-(1,3-thiazol-5-yl)propan-2-one.

Molecular Properties

Compound Name1-cyclohexyl-1-hydroxy-3-(1,3-thiazol-5-yl)propan-2-one
PubChem CID103457418
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name1-cyclohexyl-1-hydroxy-3-(1,3-thiazol-5-yl)propan-2-one
SMILESO=C(Cc1cncs1)C(O)C1CCCCC1
InChIInChI=1S/C12H17NO2S/c14-11(6-10-7-13-8-16-10)12(15)9-4-2-1-3-5-9/h7-9,12,15H,1-6H2
InChIKeyFZHLPTGCZAEGNC-UHFFFAOYSA-N
XLogP2.20
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclohexyl-3-(1,3-thiazol-5-yl)propan-2-one
CID 115796129
1-cyclohexyl-1-hydroxy-3-pyridin-3-ylpropan-2-one
CID 103457420
1-(2-aminocyclohexyl)-2-(1,3-thiazol-5-yl)ethanone
CID 116579911
1-cyclopentyl-2-(1,3-thiazol-5-yl)ethanamine
CID 82399288
1-(cyclopropylamino)-3-(1,3-thiazol-5-yl)propan-2-one
CID 116555141
1,3-thiazol-5-ylmethyl cyclohexanecarboxylate
CID 1488972
1-cyclohexyl-3-(2,5-dimethylpyrazol-3-yl)-1-hydroxypropan-2-one
CID 103457452
1-cycloheptyl-3-(1,3-thiazol-5-yl)propan-2-amine
CID 105030739
3-(2-bromophenyl)-1-cyclohexyl-1-hydroxypropan-2-one
CID 103457619
4-(oxolan-2-yl)-1-(1,3-thiazol-5-yl)butan-2-one
CID 115796077
1,2-bis(1,3-thiazol-5-yl)ethanone
CID 112642435
1-(3-methylcyclopentyl)-2-(1,3-thiazol-5-yl)ethanone
CID 112642357

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-hydroxy-3-(1,3-thiazol-5-yl)propan-2-one?
The IUPAC name of 1-cyclohexyl-1-hydroxy-3-(1,3-thiazol-5-yl)propan-2-one (CID 103457418) is 1-cyclohexyl-1-hydroxy-3-(1,3-thiazol-5-yl)propan-2-one.
What is the SMILES notation for 1-cyclohexyl-1-hydroxy-3-(1,3-thiazol-5-yl)propan-2-one?
The canonical SMILES for 1-cyclohexyl-1-hydroxy-3-(1,3-thiazol-5-yl)propan-2-one is O=C(Cc1cncs1)C(O)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-1-hydroxy-3-(1,3-thiazol-5-yl)propan-2-one?
The InChIKey is FZHLPTGCZAEGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c14-11(6-10-7-13-8-16-10)12(15)9-4-2-1-3-5-9/h7-9,12,15H,1-6H2.
What are the key properties of 1-cyclohexyl-1-hydroxy-3-(1,3-thiazol-5-yl)propan-2-one?
1-cyclohexyl-1-hydroxy-3-(1,3-thiazol-5-yl)propan-2-one has a molecular weight of 239.34 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-hydroxy-3-(1,3-thiazol-5-yl)propan-2-one is sourced from PubChem (CID 103457418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).