(3-methylcyclohexyl)-(1,2-thiazol-5-yl)methanol

C11H17NOS — CID 130914162

IUPAC(3-methylcyclohexyl)-(1,2-thiazol-5-yl)methanol
SMILESCC1CCCC(C(O)c2ccns2)C1
InChIInChI=1S/C11H17NOS/c1-8-3-2-4-9(7-8)11(13)10-5-6-12-14-10/h5-6,8-9,11,13H,2-4,7H2,1H3
InChIKeyVWVCGBINFBCIKF-UHFFFAOYSA-N
MW211.33 g/mol
LogP3.00
Rot. Bonds2

About (3-methylcyclohexyl)-(1,2-thiazol-5-yl)methanol

(3-methylcyclohexyl)-(1,2-thiazol-5-yl)methanol (PubChem CID 130914162) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is (3-methylcyclohexyl)-(1,2-thiazol-5-yl)methanol.

Molecular Properties

Compound Name(3-methylcyclohexyl)-(1,2-thiazol-5-yl)methanol
PubChem CID130914162
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name(3-methylcyclohexyl)-(1,2-thiazol-5-yl)methanol
SMILESCC1CCCC(C(O)c2ccns2)C1
InChIInChI=1S/C11H17NOS/c1-8-3-2-4-9(7-8)11(13)10-5-6-12-14-10/h5-6,8-9,11,13H,2-4,7H2,1H3
InChIKeyVWVCGBINFBCIKF-UHFFFAOYSA-N
XLogP3.00
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-Fluoro-5-methylphenyl)-(1,2-thiazol-5-yl)methanol
CID 143918348
(4-Methylphenyl)-(1,2-thiazol-5-yl)methanol
CID 119094111
(4-Propan-2-ylphenyl)-(1,2-thiazol-5-yl)methanol
CID 134975462
(3,3-Difluorocyclopentyl)-(1,2-thiazol-5-yl)methanol
CID 130826100
2-(2,2-Difluoro-1-methylcyclopropyl)-1-(1,2-thiazol-5-yl)ethan-1-ol
CID 164652164
4,4-Difluoro-1-(1,2-thiazol-5-yl)cyclohexan-1-ol
CID 164659228
4,4-Difluoro-1-(1,2-thiazol-5-yl)cyclohex-2-en-1-ol
CID 165497804
3-Cyclohexyl-1-(1,2-thiazol-5-yl)propan-1-ol
CID 59949219
3-Phenyl-1-(1,2-thiazol-5-yl)propan-1-ol
CID 71123420
4-Methyl-1-[2-(1,2-thiazol-5-yl)ethyl]cyclohex-2-en-1-ol
CID 155190878
Phenyl(1,2-thiazol-5-yl)methanol
CID 119094102
(4-Ethylphenyl)-(1,2-thiazol-5-yl)methanol
CID 119094112

Frequently Asked Questions

What is the IUPAC name of (3-methylcyclohexyl)-(1,2-thiazol-5-yl)methanol?
The IUPAC name of (3-methylcyclohexyl)-(1,2-thiazol-5-yl)methanol (CID 130914162) is (3-methylcyclohexyl)-(1,2-thiazol-5-yl)methanol.
What is the SMILES notation for (3-methylcyclohexyl)-(1,2-thiazol-5-yl)methanol?
The canonical SMILES for (3-methylcyclohexyl)-(1,2-thiazol-5-yl)methanol is CC1CCCC(C(O)c2ccns2)C1.
What is the InChIKey of (3-methylcyclohexyl)-(1,2-thiazol-5-yl)methanol?
The InChIKey is VWVCGBINFBCIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-8-3-2-4-9(7-8)11(13)10-5-6-12-14-10/h5-6,8-9,11,13H,2-4,7H2,1H3.
What are the key properties of (3-methylcyclohexyl)-(1,2-thiazol-5-yl)methanol?
(3-methylcyclohexyl)-(1,2-thiazol-5-yl)methanol has a molecular weight of 211.33 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylcyclohexyl)-(1,2-thiazol-5-yl)methanol is sourced from PubChem (CID 130914162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).