1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethanol

C13H12F3NOS — CID 22647631

IUPAC1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethanol
SMILESCc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(C)O
InChIInChI=1S/C13H12F3NOS/c1-7-11(8(2)18)19-12(17-7)9-3-5-10(6-4-9)13(14,15)16/h3-6,8,18H,1-2H3
InChIKeySVYRQELBDSYTBO-UHFFFAOYSA-N
MW287.31 g/mol
LogP4.19
Rot. Bonds2

About 1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethanol

1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethanol (PubChem CID 22647631) has the molecular formula C13H12F3NOS and a molecular weight of 287.31 g/mol. Its IUPAC name is 1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethanol
PubChem CID22647631
Molecular FormulaC13H12F3NOS
Molecular Weight287.31 g/mol
Exact Mass287.06
IUPAC Name1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethanol
SMILESCc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(C)O
InChIInChI=1S/C13H12F3NOS/c1-7-11(8(2)18)19-12(17-7)9-3-5-10(6-4-9)13(14,15)16/h3-6,8,18H,1-2H3
InChIKeySVYRQELBDSYTBO-UHFFFAOYSA-N
XLogP4.19
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 54.19
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-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethanol?
The IUPAC name of 1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethanol (CID 22647631) is 1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethanol.
What is the SMILES notation for 1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethanol?
The canonical SMILES for 1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethanol is Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(C)O.
What is the InChIKey of 1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethanol?
The InChIKey is SVYRQELBDSYTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NOS/c1-7-11(8(2)18)19-12(17-7)9-3-5-10(6-4-9)13(14,15)16/h3-6,8,18H,1-2H3.
What are the key properties of 1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethanol?
1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethanol has a molecular weight of 287.31 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethanol is sourced from PubChem (CID 22647631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).