2-[2-(4-methylcyclohexyl)-1,3-thiazol-4-yl]propan-2-ol

C13H21NOS — CID 121449499

IUPAC2-[2-(4-methylcyclohexyl)-1,3-thiazol-4-yl]propan-2-ol
SMILESCC1CCC(c2nc(C(C)(C)O)cs2)CC1
InChIInChI=1S/C13H21NOS/c1-9-4-6-10(7-5-9)12-14-11(8-16-12)13(2,3)15/h8-10,15H,4-7H2,1-3H3
InChIKeyKFYVQFDZMUCEAI-UHFFFAOYSA-N
MW239.38 g/mol
LogP3.66
Rot. Bonds2

About 2-[2-(4-methylcyclohexyl)-1,3-thiazol-4-yl]propan-2-ol

2-[2-(4-methylcyclohexyl)-1,3-thiazol-4-yl]propan-2-ol (PubChem CID 121449499) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is 2-[2-(4-methylcyclohexyl)-1,3-thiazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[2-(4-methylcyclohexyl)-1,3-thiazol-4-yl]propan-2-ol
PubChem CID121449499
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC Name2-[2-(4-methylcyclohexyl)-1,3-thiazol-4-yl]propan-2-ol
SMILESCC1CCC(c2nc(C(C)(C)O)cs2)CC1
InChIInChI=1S/C13H21NOS/c1-9-4-6-10(7-5-9)12-14-11(8-16-12)13(2,3)15/h8-10,15H,4-7H2,1-3H3
InChIKeyKFYVQFDZMUCEAI-UHFFFAOYSA-N
XLogP3.66
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylcyclohexyl)-1,3-thiazol-4-yl]propan-2-ol?
The IUPAC name of 2-[2-(4-methylcyclohexyl)-1,3-thiazol-4-yl]propan-2-ol (CID 121449499) is 2-[2-(4-methylcyclohexyl)-1,3-thiazol-4-yl]propan-2-ol.
What is the SMILES notation for 2-[2-(4-methylcyclohexyl)-1,3-thiazol-4-yl]propan-2-ol?
The canonical SMILES for 2-[2-(4-methylcyclohexyl)-1,3-thiazol-4-yl]propan-2-ol is CC1CCC(c2nc(C(C)(C)O)cs2)CC1.
What is the InChIKey of 2-[2-(4-methylcyclohexyl)-1,3-thiazol-4-yl]propan-2-ol?
The InChIKey is KFYVQFDZMUCEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-9-4-6-10(7-5-9)12-14-11(8-16-12)13(2,3)15/h8-10,15H,4-7H2,1-3H3.
What are the key properties of 2-[2-(4-methylcyclohexyl)-1,3-thiazol-4-yl]propan-2-ol?
2-[2-(4-methylcyclohexyl)-1,3-thiazol-4-yl]propan-2-ol has a molecular weight of 239.38 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylcyclohexyl)-1,3-thiazol-4-yl]propan-2-ol is sourced from PubChem (CID 121449499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).