4-tert-butyl-2-(1,3-thiazol-5-ylmethyl)cyclohexan-1-ol

C14H23NOS — CID 112643810

IUPAC4-tert-butyl-2-(1,3-thiazol-5-ylmethyl)cyclohexan-1-ol
SMILESCC(C)(C)C1CCC(O)C(Cc2cncs2)C1
InChIInChI=1S/C14H23NOS/c1-14(2,3)11-4-5-13(16)10(6-11)7-12-8-15-9-17-12/h8-11,13,16H,4-7H2,1-3H3
InChIKeyZIYNQRZOKOIDTA-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.51
Rot. Bonds2

About 4-tert-butyl-2-(1,3-thiazol-5-ylmethyl)cyclohexan-1-ol

4-tert-butyl-2-(1,3-thiazol-5-ylmethyl)cyclohexan-1-ol (PubChem CID 112643810) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is 4-tert-butyl-2-(1,3-thiazol-5-ylmethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-tert-butyl-2-(1,3-thiazol-5-ylmethyl)cyclohexan-1-ol
PubChem CID112643810
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC Name4-tert-butyl-2-(1,3-thiazol-5-ylmethyl)cyclohexan-1-ol
SMILESCC(C)(C)C1CCC(O)C(Cc2cncs2)C1
InChIInChI=1S/C14H23NOS/c1-14(2,3)11-4-5-13(16)10(6-11)7-12-8-15-9-17-12/h8-11,13,16H,4-7H2,1-3H3
InChIKeyZIYNQRZOKOIDTA-UHFFFAOYSA-N
XLogP3.51
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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

1-(4-tert-butylcyclohexyl)-2-(1,3-thiazol-5-yl)ethanone
CID 112642355
4-tert-butyl-2-(furan-3-ylmethyl)cyclohexan-1-ol
CID 83183283
2-(1,3-thiazol-5-ylmethyl)cyclobutan-1-amine
CID 112645527
4-tert-butyl-2-[(4-fluorophenyl)methyl]cyclohexan-1-ol
CID 63461998
2-[(4-bromophenyl)methyl]-4-tert-butylcyclohexan-1-ol
CID 55193773
4-tert-butyl-2-[(3,4-dichlorophenyl)methyl]cyclohexan-1-ol
CID 63461445
5-[(5-bromo-2-methylcyclohexyl)methyl]-1,3-thiazole
CID 165497474
5-(3-bromo-2-cyclopropyl-2-methylpropyl)-1,3-thiazole
CID 112645374
4-ethyl-3-(1,3-thiazol-5-ylmethyl)cyclohexan-1-amine
CID 165498055
4-tert-butyl-1-(1,3-thiazol-5-ylmethyl)cyclohexane-1-carbonitrile
CID 112645121
[4-tert-butyl-1-(1,3-thiazol-5-ylmethyl)cyclohexyl]methanamine
CID 112644052
5-[(2-bromo-5-propan-2-ylcyclohexyl)methyl]-1,3-thiazole
CID 112643860

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(1,3-thiazol-5-ylmethyl)cyclohexan-1-ol?
The IUPAC name of 4-tert-butyl-2-(1,3-thiazol-5-ylmethyl)cyclohexan-1-ol (CID 112643810) is 4-tert-butyl-2-(1,3-thiazol-5-ylmethyl)cyclohexan-1-ol.
What is the SMILES notation for 4-tert-butyl-2-(1,3-thiazol-5-ylmethyl)cyclohexan-1-ol?
The canonical SMILES for 4-tert-butyl-2-(1,3-thiazol-5-ylmethyl)cyclohexan-1-ol is CC(C)(C)C1CCC(O)C(Cc2cncs2)C1.
What is the InChIKey of 4-tert-butyl-2-(1,3-thiazol-5-ylmethyl)cyclohexan-1-ol?
The InChIKey is ZIYNQRZOKOIDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-14(2,3)11-4-5-13(16)10(6-11)7-12-8-15-9-17-12/h8-11,13,16H,4-7H2,1-3H3.
What are the key properties of 4-tert-butyl-2-(1,3-thiazol-5-ylmethyl)cyclohexan-1-ol?
4-tert-butyl-2-(1,3-thiazol-5-ylmethyl)cyclohexan-1-ol has a molecular weight of 253.41 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(1,3-thiazol-5-ylmethyl)cyclohexan-1-ol is sourced from PubChem (CID 112643810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).