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

C11H15NO2S — CID 130971362

IUPAC(1-hydroxy-4-methylcyclohexyl)-(1,2-thiazol-3-yl)methanone
SMILESCC1CCC(O)(C(=O)c2ccsn2)CC1
InChIInChI=1S/C11H15NO2S/c1-8-2-5-11(14,6-3-8)10(13)9-4-7-15-12-9/h4,7-8,14H,2-3,5-6H2,1H3
InChIKeyBBQVSGWJRWQADM-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.27
Rot. Bonds2

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

(1-hydroxy-4-methylcyclohexyl)-(1,2-thiazol-3-yl)methanone (PubChem CID 130971362) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is (1-hydroxy-4-methylcyclohexyl)-(1,2-thiazol-3-yl)methanone.

Molecular Properties

Compound Name(1-hydroxy-4-methylcyclohexyl)-(1,2-thiazol-3-yl)methanone
PubChem CID130971362
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name(1-hydroxy-4-methylcyclohexyl)-(1,2-thiazol-3-yl)methanone
SMILESCC1CCC(O)(C(=O)c2ccsn2)CC1
InChIInChI=1S/C11H15NO2S/c1-8-2-5-11(14,6-3-8)10(13)9-4-7-15-12-9/h4,7-8,14H,2-3,5-6H2,1H3
InChIKeyBBQVSGWJRWQADM-UHFFFAOYSA-N
XLogP2.27
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-hydroxy-4-methylcyclohexyl)-(1,2-thiazol-3-yl)methanone?
The IUPAC name of (1-hydroxy-4-methylcyclohexyl)-(1,2-thiazol-3-yl)methanone (CID 130971362) is (1-hydroxy-4-methylcyclohexyl)-(1,2-thiazol-3-yl)methanone.
What is the SMILES notation for (1-hydroxy-4-methylcyclohexyl)-(1,2-thiazol-3-yl)methanone?
The canonical SMILES for (1-hydroxy-4-methylcyclohexyl)-(1,2-thiazol-3-yl)methanone is CC1CCC(O)(C(=O)c2ccsn2)CC1.
What is the InChIKey of (1-hydroxy-4-methylcyclohexyl)-(1,2-thiazol-3-yl)methanone?
The InChIKey is BBQVSGWJRWQADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-8-2-5-11(14,6-3-8)10(13)9-4-7-15-12-9/h4,7-8,14H,2-3,5-6H2,1H3.
What are the key properties of (1-hydroxy-4-methylcyclohexyl)-(1,2-thiazol-3-yl)methanone?
(1-hydroxy-4-methylcyclohexyl)-(1,2-thiazol-3-yl)methanone has a molecular weight of 225.31 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxy-4-methylcyclohexyl)-(1,2-thiazol-3-yl)methanone is sourced from PubChem (CID 130971362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).