1-[2-[4-(trifluoromethyl)phenyl]-5H-cyclohepta[d][1,3]thiazol-7-yl]ethanol

C17H14F3NOS — CID 142923119

IUPAC1-[2-[4-(trifluoromethyl)phenyl]-5H-cyclohepta[d][1,3]thiazol-7-yl]ethanol
SMILESCC(O)C1=CCC=c2nc(-c3ccc(C(F)(F)F)cc3)sc2=C1
InChIInChI=1S/C17H14F3NOS/c1-10(22)12-3-2-4-14-15(9-12)23-16(21-14)11-5-7-13(8-6-11)17(18,19)20/h3-10,22H,2H2,1H3
InChIKeyMMUJXTBWTAXDOX-UHFFFAOYSA-N
MW337.37 g/mol
LogP3.10
Rot. Bonds2

About 1-[2-[4-(trifluoromethyl)phenyl]-5H-cyclohepta[d][1,3]thiazol-7-yl]ethanol

1-[2-[4-(trifluoromethyl)phenyl]-5H-cyclohepta[d][1,3]thiazol-7-yl]ethanol (PubChem CID 142923119) has the molecular formula C17H14F3NOS and a molecular weight of 337.37 g/mol. Its IUPAC name is 1-[2-[4-(trifluoromethyl)phenyl]-5H-cyclohepta[d][1,3]thiazol-7-yl]ethanol.

Molecular Properties

Compound Name1-[2-[4-(trifluoromethyl)phenyl]-5H-cyclohepta[d][1,3]thiazol-7-yl]ethanol
PubChem CID142923119
Molecular FormulaC17H14F3NOS
Molecular Weight337.37 g/mol
Exact Mass337.07
IUPAC Name1-[2-[4-(trifluoromethyl)phenyl]-5H-cyclohepta[d][1,3]thiazol-7-yl]ethanol
SMILESCC(O)C1=CCC=c2nc(-c3ccc(C(F)(F)F)cc3)sc2=C1
InChIInChI=1S/C17H14F3NOS/c1-10(22)12-3-2-4-14-15(9-12)23-16(21-14)11-5-7-13(8-6-11)17(18,19)20/h3-10,22H,2H2,1H3
InChIKeyMMUJXTBWTAXDOX-UHFFFAOYSA-N
XLogP3.10
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(trifluoromethyl)phenyl]-5H-cyclohepta[d][1,3]thiazol-7-yl]ethanol?
The IUPAC name of 1-[2-[4-(trifluoromethyl)phenyl]-5H-cyclohepta[d][1,3]thiazol-7-yl]ethanol (CID 142923119) is 1-[2-[4-(trifluoromethyl)phenyl]-5H-cyclohepta[d][1,3]thiazol-7-yl]ethanol.
What is the SMILES notation for 1-[2-[4-(trifluoromethyl)phenyl]-5H-cyclohepta[d][1,3]thiazol-7-yl]ethanol?
The canonical SMILES for 1-[2-[4-(trifluoromethyl)phenyl]-5H-cyclohepta[d][1,3]thiazol-7-yl]ethanol is CC(O)C1=CCC=c2nc(-c3ccc(C(F)(F)F)cc3)sc2=C1.
What is the InChIKey of 1-[2-[4-(trifluoromethyl)phenyl]-5H-cyclohepta[d][1,3]thiazol-7-yl]ethanol?
The InChIKey is MMUJXTBWTAXDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3NOS/c1-10(22)12-3-2-4-14-15(9-12)23-16(21-14)11-5-7-13(8-6-11)17(18,19)20/h3-10,22H,2H2,1H3.
What are the key properties of 1-[2-[4-(trifluoromethyl)phenyl]-5H-cyclohepta[d][1,3]thiazol-7-yl]ethanol?
1-[2-[4-(trifluoromethyl)phenyl]-5H-cyclohepta[d][1,3]thiazol-7-yl]ethanol has a molecular weight of 337.37 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(trifluoromethyl)phenyl]-5H-cyclohepta[d][1,3]thiazol-7-yl]ethanol is sourced from PubChem (CID 142923119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).