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

C13H21NOS — CID 59743902

IUPAC4-tert-butyl-1-(1,3-thiazol-2-yl)cyclohexan-1-ol
SMILESCC(C)(C)C1CCC(O)(c2nccs2)CC1
InChIInChI=1S/C13H21NOS/c1-12(2,3)10-4-6-13(15,7-5-10)11-14-8-9-16-11/h8-10,15H,4-7H2,1-3H3
InChIKeyZSMZINFXJXWYDF-UHFFFAOYSA-N
MW239.38 g/mol
LogP3.57
Rot. Bonds1

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

4-tert-butyl-1-(1,3-thiazol-2-yl)cyclohexan-1-ol (PubChem CID 59743902) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is 4-tert-butyl-1-(1,3-thiazol-2-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-tert-butyl-1-(1,3-thiazol-2-yl)cyclohexan-1-ol
PubChem CID59743902
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC Name4-tert-butyl-1-(1,3-thiazol-2-yl)cyclohexan-1-ol
SMILESCC(C)(C)C1CCC(O)(c2nccs2)CC1
InChIInChI=1S/C13H21NOS/c1-12(2,3)10-4-6-13(15,7-5-10)11-14-8-9-16-11/h8-10,15H,4-7H2,1-3H3
InChIKeyZSMZINFXJXWYDF-UHFFFAOYSA-N
XLogP3.57
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-(1,3-thiazol-2-yl)cyclohexan-1-ol?
The IUPAC name of 4-tert-butyl-1-(1,3-thiazol-2-yl)cyclohexan-1-ol (CID 59743902) is 4-tert-butyl-1-(1,3-thiazol-2-yl)cyclohexan-1-ol.
What is the SMILES notation for 4-tert-butyl-1-(1,3-thiazol-2-yl)cyclohexan-1-ol?
The canonical SMILES for 4-tert-butyl-1-(1,3-thiazol-2-yl)cyclohexan-1-ol is CC(C)(C)C1CCC(O)(c2nccs2)CC1.
What is the InChIKey of 4-tert-butyl-1-(1,3-thiazol-2-yl)cyclohexan-1-ol?
The InChIKey is ZSMZINFXJXWYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-12(2,3)10-4-6-13(15,7-5-10)11-14-8-9-16-11/h8-10,15H,4-7H2,1-3H3.
What are the key properties of 4-tert-butyl-1-(1,3-thiazol-2-yl)cyclohexan-1-ol?
4-tert-butyl-1-(1,3-thiazol-2-yl)cyclohexan-1-ol has a molecular weight of 239.38 g/mol, XLogP of 3.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-(1,3-thiazol-2-yl)cyclohexan-1-ol is sourced from PubChem (CID 59743902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).