4-propyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol

C13H18F3NOS — CID 106781947

IUPAC4-propyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol
SMILESCCCC1CCC(O)(c2cnc(C(F)(F)F)s2)CC1
InChIInChI=1S/C13H18F3NOS/c1-2-3-9-4-6-12(18,7-5-9)10-8-17-11(19-10)13(14,15)16/h8-9,18H,2-7H2,1H3
InChIKeyIDAKLEHKAUORPX-UHFFFAOYSA-N
MW293.35 g/mol
LogP4.34
Rot. Bonds3

About 4-propyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol

4-propyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol (PubChem CID 106781947) has the molecular formula C13H18F3NOS and a molecular weight of 293.35 g/mol. Its IUPAC name is 4-propyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-propyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol
PubChem CID106781947
Molecular FormulaC13H18F3NOS
Molecular Weight293.35 g/mol
Exact Mass293.11
IUPAC Name4-propyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol
SMILESCCCC1CCC(O)(c2cnc(C(F)(F)F)s2)CC1
InChIInChI=1S/C13H18F3NOS/c1-2-3-9-4-6-12(18,7-5-9)10-8-17-11(19-10)13(14,15)16/h8-9,18H,2-7H2,1H3
InChIKeyIDAKLEHKAUORPX-UHFFFAOYSA-N
XLogP4.34
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-propyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol?
The IUPAC name of 4-propyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol (CID 106781947) is 4-propyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol.
What is the SMILES notation for 4-propyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol?
The canonical SMILES for 4-propyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol is CCCC1CCC(O)(c2cnc(C(F)(F)F)s2)CC1.
What is the InChIKey of 4-propyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol?
The InChIKey is IDAKLEHKAUORPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NOS/c1-2-3-9-4-6-12(18,7-5-9)10-8-17-11(19-10)13(14,15)16/h8-9,18H,2-7H2,1H3.
What are the key properties of 4-propyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol?
4-propyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol has a molecular weight of 293.35 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-ol is sourced from PubChem (CID 106781947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).