5-methyl-2-[2-methyl-1-(1,3-thiazol-2-yl)propan-2-yl]cyclohexan-1-ol

C14H23NOS — CID 79824748

IUPAC5-methyl-2-[2-methyl-1-(1,3-thiazol-2-yl)propan-2-yl]cyclohexan-1-ol
SMILESCC1CCC(C(C)(C)Cc2nccs2)C(O)C1
InChIInChI=1S/C14H23NOS/c1-10-4-5-11(12(16)8-10)14(2,3)9-13-15-6-7-17-13/h6-7,10-12,16H,4-5,8-9H2,1-3H3
InChIKeyKCZLPRYBYQWHNI-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.51
Rot. Bonds3

About 5-methyl-2-[2-methyl-1-(1,3-thiazol-2-yl)propan-2-yl]cyclohexan-1-ol

5-methyl-2-[2-methyl-1-(1,3-thiazol-2-yl)propan-2-yl]cyclohexan-1-ol (PubChem CID 79824748) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is 5-methyl-2-[2-methyl-1-(1,3-thiazol-2-yl)propan-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name5-methyl-2-[2-methyl-1-(1,3-thiazol-2-yl)propan-2-yl]cyclohexan-1-ol
PubChem CID79824748
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC Name5-methyl-2-[2-methyl-1-(1,3-thiazol-2-yl)propan-2-yl]cyclohexan-1-ol
SMILESCC1CCC(C(C)(C)Cc2nccs2)C(O)C1
InChIInChI=1S/C14H23NOS/c1-10-4-5-11(12(16)8-10)14(2,3)9-13-15-6-7-17-13/h6-7,10-12,16H,4-5,8-9H2,1-3H3
InChIKeyKCZLPRYBYQWHNI-UHFFFAOYSA-N
XLogP3.51
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,5-dimethyl-2-[2-methyl-1-(1,3-thiazol-2-yl)propan-2-yl]cyclohexan-1-amine
CID 79825191
2-[1-(1-ethylimidazol-2-yl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-ol
CID 79762058
2-[1-(4-iodophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-ol
CID 65490567
5-methyl-2-(2-methylpentan-2-yl)cyclohexan-1-ol
CID 64766519
2-(1-ethoxy-2-methylpropan-2-yl)-5-methylcyclohexan-1-ol
CID 79570834
4-methyl-N-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine
CID 58902693
3-methyl-N-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine
CID 60961816
(1R,2S,5R)-5-methyl-2-(2-methylpent-4-en-2-yl)cyclohexan-1-ol
CID 130130703
2-[1-(3-bromo-5-fluorophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-ol
CID 79711953
2-methyl-1-(1,3-thiazol-2-yl)butan-2-ol
CID 79819044
5-methyl-2-(2-methylnonan-2-yl)cyclohexan-1-ol
CID 64766694
(1R,2R,5S)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol;(1R,2S,5R)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol;(1S,2R,5S)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol;(1S,2S,5R)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol
CID 167591584

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[2-methyl-1-(1,3-thiazol-2-yl)propan-2-yl]cyclohexan-1-ol?
The IUPAC name of 5-methyl-2-[2-methyl-1-(1,3-thiazol-2-yl)propan-2-yl]cyclohexan-1-ol (CID 79824748) is 5-methyl-2-[2-methyl-1-(1,3-thiazol-2-yl)propan-2-yl]cyclohexan-1-ol.
What is the SMILES notation for 5-methyl-2-[2-methyl-1-(1,3-thiazol-2-yl)propan-2-yl]cyclohexan-1-ol?
The canonical SMILES for 5-methyl-2-[2-methyl-1-(1,3-thiazol-2-yl)propan-2-yl]cyclohexan-1-ol is CC1CCC(C(C)(C)Cc2nccs2)C(O)C1.
What is the InChIKey of 5-methyl-2-[2-methyl-1-(1,3-thiazol-2-yl)propan-2-yl]cyclohexan-1-ol?
The InChIKey is KCZLPRYBYQWHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-10-4-5-11(12(16)8-10)14(2,3)9-13-15-6-7-17-13/h6-7,10-12,16H,4-5,8-9H2,1-3H3.
What are the key properties of 5-methyl-2-[2-methyl-1-(1,3-thiazol-2-yl)propan-2-yl]cyclohexan-1-ol?
5-methyl-2-[2-methyl-1-(1,3-thiazol-2-yl)propan-2-yl]cyclohexan-1-ol has a molecular weight of 253.41 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[2-methyl-1-(1,3-thiazol-2-yl)propan-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 79824748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).