2-(1-methoxy-4-methylcyclohexyl)-1,3-thiazol-4-ol

C11H17NO2S — CID 130501533

IUPAC2-(1-methoxy-4-methylcyclohexyl)-1,3-thiazol-4-ol
SMILESCOC1(c2nc(O)cs2)CCC(C)CC1
InChIInChI=1S/C11H17NO2S/c1-8-3-5-11(14-2,6-4-8)10-12-9(13)7-15-10/h7-8,13H,3-6H2,1-2H3
InChIKeyGERVVZSRZBJOAK-UHFFFAOYSA-N
MW227.33 g/mol
LogP2.90
Rot. Bonds2

About 2-(1-methoxy-4-methylcyclohexyl)-1,3-thiazol-4-ol

2-(1-methoxy-4-methylcyclohexyl)-1,3-thiazol-4-ol (PubChem CID 130501533) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is 2-(1-methoxy-4-methylcyclohexyl)-1,3-thiazol-4-ol.

Molecular Properties

Compound Name2-(1-methoxy-4-methylcyclohexyl)-1,3-thiazol-4-ol
PubChem CID130501533
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Name2-(1-methoxy-4-methylcyclohexyl)-1,3-thiazol-4-ol
SMILESCOC1(c2nc(O)cs2)CCC(C)CC1
InChIInChI=1S/C11H17NO2S/c1-8-3-5-11(14-2,6-4-8)10-12-9(13)7-15-10/h7-8,13H,3-6H2,1-2H3
InChIKeyGERVVZSRZBJOAK-UHFFFAOYSA-N
XLogP2.90
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Bromo-1,3-thiazol-2-yl)-4-methylcyclohexan-1-ol
CID 114684109
2-(1-Methoxy-4-methylcyclohexyl)-4-methyl-1,3-thiazole
CID 116782647
2-(4-Methoxyoxan-4-yl)-1,3-thiazol-4-ol
CID 126975841
2-[Cyclohexyl(methoxy)methyl]-1,3-thiazol-4-ol
CID 130501377
2-(1-Methoxycyclobutyl)-1,3-thiazol-4-ol
CID 130501398
2-(4-Methylcyclohexyl)-1,3-thiazol-4-ol
CID 130501469
2-(1-Ethoxycyclohexyl)-1,3-thiazol-4-ol
CID 130501487
2-(1-Methoxycyclopentyl)-1,3-thiazol-4-ol
CID 130501532

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxy-4-methylcyclohexyl)-1,3-thiazol-4-ol?
The IUPAC name of 2-(1-methoxy-4-methylcyclohexyl)-1,3-thiazol-4-ol (CID 130501533) is 2-(1-methoxy-4-methylcyclohexyl)-1,3-thiazol-4-ol.
What is the SMILES notation for 2-(1-methoxy-4-methylcyclohexyl)-1,3-thiazol-4-ol?
The canonical SMILES for 2-(1-methoxy-4-methylcyclohexyl)-1,3-thiazol-4-ol is COC1(c2nc(O)cs2)CCC(C)CC1.
What is the InChIKey of 2-(1-methoxy-4-methylcyclohexyl)-1,3-thiazol-4-ol?
The InChIKey is GERVVZSRZBJOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-8-3-5-11(14-2,6-4-8)10-12-9(13)7-15-10/h7-8,13H,3-6H2,1-2H3.
What are the key properties of 2-(1-methoxy-4-methylcyclohexyl)-1,3-thiazol-4-ol?
2-(1-methoxy-4-methylcyclohexyl)-1,3-thiazol-4-ol has a molecular weight of 227.33 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxy-4-methylcyclohexyl)-1,3-thiazol-4-ol is sourced from PubChem (CID 130501533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).