(2-cyclohexyl-4-propan-2-yl-1,3-thiazol-5-yl)methanol

C13H21NOS — CID 82434692

IUPAC(2-cyclohexyl-4-propan-2-yl-1,3-thiazol-5-yl)methanol
SMILESCC(C)c1nc(C2CCCCC2)sc1CO
InChIInChI=1S/C13H21NOS/c1-9(2)12-11(8-15)16-13(14-12)10-6-4-3-5-7-10/h9-10,15H,3-8H2,1-2H3
InChIKeyNWLCCIJPCXKEOX-UHFFFAOYSA-N
MW239.38 g/mol
LogP3.81
Rot. Bonds3

About (2-cyclohexyl-4-propan-2-yl-1,3-thiazol-5-yl)methanol

(2-cyclohexyl-4-propan-2-yl-1,3-thiazol-5-yl)methanol (PubChem CID 82434692) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is (2-cyclohexyl-4-propan-2-yl-1,3-thiazol-5-yl)methanol.

Molecular Properties

Compound Name(2-cyclohexyl-4-propan-2-yl-1,3-thiazol-5-yl)methanol
PubChem CID82434692
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC Name(2-cyclohexyl-4-propan-2-yl-1,3-thiazol-5-yl)methanol
SMILESCC(C)c1nc(C2CCCCC2)sc1CO
InChIInChI=1S/C13H21NOS/c1-9(2)12-11(8-15)16-13(14-12)10-6-4-3-5-7-10/h9-10,15H,3-8H2,1-2H3
InChIKeyNWLCCIJPCXKEOX-UHFFFAOYSA-N
XLogP3.81
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-cyclohexyl-4-propan-2-yl-1,3-thiazol-5-yl)methanol?
The IUPAC name of (2-cyclohexyl-4-propan-2-yl-1,3-thiazol-5-yl)methanol (CID 82434692) is (2-cyclohexyl-4-propan-2-yl-1,3-thiazol-5-yl)methanol.
What is the SMILES notation for (2-cyclohexyl-4-propan-2-yl-1,3-thiazol-5-yl)methanol?
The canonical SMILES for (2-cyclohexyl-4-propan-2-yl-1,3-thiazol-5-yl)methanol is CC(C)c1nc(C2CCCCC2)sc1CO.
What is the InChIKey of (2-cyclohexyl-4-propan-2-yl-1,3-thiazol-5-yl)methanol?
The InChIKey is NWLCCIJPCXKEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-9(2)12-11(8-15)16-13(14-12)10-6-4-3-5-7-10/h9-10,15H,3-8H2,1-2H3.
What are the key properties of (2-cyclohexyl-4-propan-2-yl-1,3-thiazol-5-yl)methanol?
(2-cyclohexyl-4-propan-2-yl-1,3-thiazol-5-yl)methanol has a molecular weight of 239.38 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclohexyl-4-propan-2-yl-1,3-thiazol-5-yl)methanol is sourced from PubChem (CID 82434692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).