1-(1-hydroxy-4-methylcyclohexyl)-2-(1,3-thiazol-2-yl)ethanone

C12H17NO2S — CID 103450798

IUPAC1-(1-hydroxy-4-methylcyclohexyl)-2-(1,3-thiazol-2-yl)ethanone
SMILESCC1CCC(O)(C(=O)Cc2nccs2)CC1
InChIInChI=1S/C12H17NO2S/c1-9-2-4-12(15,5-3-9)10(14)8-11-13-6-7-16-11/h6-7,9,15H,2-5,8H2,1H3
InChIKeyKVLAQRQFAMWOEZ-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.20
Rot. Bonds3

About 1-(1-hydroxy-4-methylcyclohexyl)-2-(1,3-thiazol-2-yl)ethanone

1-(1-hydroxy-4-methylcyclohexyl)-2-(1,3-thiazol-2-yl)ethanone (PubChem CID 103450798) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is 1-(1-hydroxy-4-methylcyclohexyl)-2-(1,3-thiazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(1-hydroxy-4-methylcyclohexyl)-2-(1,3-thiazol-2-yl)ethanone
PubChem CID103450798
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name1-(1-hydroxy-4-methylcyclohexyl)-2-(1,3-thiazol-2-yl)ethanone
SMILESCC1CCC(O)(C(=O)Cc2nccs2)CC1
InChIInChI=1S/C12H17NO2S/c1-9-2-4-12(15,5-3-9)10(14)8-11-13-6-7-16-11/h6-7,9,15H,2-5,8H2,1H3
InChIKeyKVLAQRQFAMWOEZ-UHFFFAOYSA-N
XLogP2.20
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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-(1-methoxycyclobutyl)-2-(1,3-thiazol-2-yl)ethanone
CID 116706920
4-methyl-1-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine
CID 79823883
1-(1-aminocyclohexyl)-2-(1,3-thiazol-2-yl)ethanone
CID 116550466
1-(4-ethylpiperidin-4-yl)-2-(1,3-thiazol-2-yl)ethanone
CID 116568006
2-(5-ethyl-2-pyridinyl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone
CID 103450762
2-(3-chloro-4-pyridinyl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone
CID 103450636
4-methyl-N-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine
CID 58902693
3-methyl-1-(1,3-thiazol-2-ylmethyl)cyclopentane-1-carbaldehyde
CID 130646206
1-[1-(methylamino)cyclohexyl]-3-(1,3-thiazol-2-yl)propan-2-one
CID 116575387
2-(2,5-dimethylpyrazol-3-yl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone
CID 103450683
methyl N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)carbamate
CID 110715870
1-piperidin-2-yl-2-(1,3-thiazol-2-yl)ethanone
CID 116547771

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-4-methylcyclohexyl)-2-(1,3-thiazol-2-yl)ethanone?
The IUPAC name of 1-(1-hydroxy-4-methylcyclohexyl)-2-(1,3-thiazol-2-yl)ethanone (CID 103450798) is 1-(1-hydroxy-4-methylcyclohexyl)-2-(1,3-thiazol-2-yl)ethanone.
What is the SMILES notation for 1-(1-hydroxy-4-methylcyclohexyl)-2-(1,3-thiazol-2-yl)ethanone?
The canonical SMILES for 1-(1-hydroxy-4-methylcyclohexyl)-2-(1,3-thiazol-2-yl)ethanone is CC1CCC(O)(C(=O)Cc2nccs2)CC1.
What is the InChIKey of 1-(1-hydroxy-4-methylcyclohexyl)-2-(1,3-thiazol-2-yl)ethanone?
The InChIKey is KVLAQRQFAMWOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-9-2-4-12(15,5-3-9)10(14)8-11-13-6-7-16-11/h6-7,9,15H,2-5,8H2,1H3.
What are the key properties of 1-(1-hydroxy-4-methylcyclohexyl)-2-(1,3-thiazol-2-yl)ethanone?
1-(1-hydroxy-4-methylcyclohexyl)-2-(1,3-thiazol-2-yl)ethanone has a molecular weight of 239.34 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-4-methylcyclohexyl)-2-(1,3-thiazol-2-yl)ethanone is sourced from PubChem (CID 103450798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).