1-[4-methyl-2-[1-(trifluoromethyl)cyclohexyl]-1,3-thiazol-5-yl]propan-1-ol

C14H20F3NOS — CID 140530776

IUPAC1-[4-methyl-2-[1-(trifluoromethyl)cyclohexyl]-1,3-thiazol-5-yl]propan-1-ol
SMILESCCC(O)c1sc(C2(C(F)(F)F)CCCCC2)nc1C
InChIInChI=1S/C14H20F3NOS/c1-3-10(19)11-9(2)18-12(20-11)13(14(15,16)17)7-5-4-6-8-13/h10,19H,3-8H2,1-2H3
InChIKeyDRJWLHAUKPROCZ-UHFFFAOYSA-N
MW307.38 g/mol
LogP4.66
Rot. Bonds3

About 1-[4-methyl-2-[1-(trifluoromethyl)cyclohexyl]-1,3-thiazol-5-yl]propan-1-ol

1-[4-methyl-2-[1-(trifluoromethyl)cyclohexyl]-1,3-thiazol-5-yl]propan-1-ol (PubChem CID 140530776) has the molecular formula C14H20F3NOS and a molecular weight of 307.38 g/mol. Its IUPAC name is 1-[4-methyl-2-[1-(trifluoromethyl)cyclohexyl]-1,3-thiazol-5-yl]propan-1-ol.

Molecular Properties

Compound Name1-[4-methyl-2-[1-(trifluoromethyl)cyclohexyl]-1,3-thiazol-5-yl]propan-1-ol
PubChem CID140530776
Molecular FormulaC14H20F3NOS
Molecular Weight307.38 g/mol
Exact Mass307.12
IUPAC Name1-[4-methyl-2-[1-(trifluoromethyl)cyclohexyl]-1,3-thiazol-5-yl]propan-1-ol
SMILESCCC(O)c1sc(C2(C(F)(F)F)CCCCC2)nc1C
InChIInChI=1S/C14H20F3NOS/c1-3-10(19)11-9(2)18-12(20-11)13(14(15,16)17)7-5-4-6-8-13/h10,19H,3-8H2,1-2H3
InChIKeyDRJWLHAUKPROCZ-UHFFFAOYSA-N
XLogP4.66
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-2-[1-(trifluoromethyl)cyclohexyl]-1,3-thiazol-5-yl]propan-1-ol?
The IUPAC name of 1-[4-methyl-2-[1-(trifluoromethyl)cyclohexyl]-1,3-thiazol-5-yl]propan-1-ol (CID 140530776) is 1-[4-methyl-2-[1-(trifluoromethyl)cyclohexyl]-1,3-thiazol-5-yl]propan-1-ol.
What is the SMILES notation for 1-[4-methyl-2-[1-(trifluoromethyl)cyclohexyl]-1,3-thiazol-5-yl]propan-1-ol?
The canonical SMILES for 1-[4-methyl-2-[1-(trifluoromethyl)cyclohexyl]-1,3-thiazol-5-yl]propan-1-ol is CCC(O)c1sc(C2(C(F)(F)F)CCCCC2)nc1C.
What is the InChIKey of 1-[4-methyl-2-[1-(trifluoromethyl)cyclohexyl]-1,3-thiazol-5-yl]propan-1-ol?
The InChIKey is DRJWLHAUKPROCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NOS/c1-3-10(19)11-9(2)18-12(20-11)13(14(15,16)17)7-5-4-6-8-13/h10,19H,3-8H2,1-2H3.
What are the key properties of 1-[4-methyl-2-[1-(trifluoromethyl)cyclohexyl]-1,3-thiazol-5-yl]propan-1-ol?
1-[4-methyl-2-[1-(trifluoromethyl)cyclohexyl]-1,3-thiazol-5-yl]propan-1-ol has a molecular weight of 307.38 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-2-[1-(trifluoromethyl)cyclohexyl]-1,3-thiazol-5-yl]propan-1-ol is sourced from PubChem (CID 140530776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).