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

C14H14F3NOS — CID 115089163

IUPAC1-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]propan-2-ol
SMILESCC(O)Cc1csc(Cc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C14H14F3NOS/c1-9(19)5-12-8-20-13(18-12)7-10-3-2-4-11(6-10)14(15,16)17/h2-4,6,8-9,19H,5,7H2,1H3
InChIKeyIUQBWFPHOCIMDY-UHFFFAOYSA-N
MW301.33 g/mol
LogP3.68
Rot. Bonds4

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

1-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]propan-2-ol (PubChem CID 115089163) has the molecular formula C14H14F3NOS and a molecular weight of 301.33 g/mol. Its IUPAC name is 1-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name1-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]propan-2-ol
PubChem CID115089163
Molecular FormulaC14H14F3NOS
Molecular Weight301.33 g/mol
Exact Mass301.07
IUPAC Name1-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]propan-2-ol
SMILESCC(O)Cc1csc(Cc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C14H14F3NOS/c1-9(19)5-12-8-20-13(18-12)7-10-3-2-4-11(6-10)14(15,16)17/h2-4,6,8-9,19H,5,7H2,1H3
InChIKeyIUQBWFPHOCIMDY-UHFFFAOYSA-N
XLogP3.68
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-methylphenyl)methyl]-4-[5-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]-3-pyridinyl]-1,3-thiazole
CID 159715926
[(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]azanium
CID 38988975
4-(4-chlorophenyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole
CID 159061814
N-[5-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]-2-pyridinyl]acetamide
CID 159715925
5-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]pyridine-3-carboxamide
CID 157277638
1-[3-(2-fluoropropan-2-yl)phenyl]propan-2-ol
CID 117286468
carbonic acid;(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 118040884
N-(2,5-dichlorophenyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 3512008
4-(chloromethyl)-2-[(3-fluorophenyl)methyl]-1,3-thiazole
CID 61221053
3-methoxy-1-[3-(trifluoromethyl)phenyl]butan-2-ol
CID 79617375
1-(2-bromopropyl)-3-(trifluoromethyl)benzene
CID 14025642
1-(2-iodopropyl)-3-(trifluoromethyl)benzene
CID 135032501

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]propan-2-ol?
The IUPAC name of 1-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]propan-2-ol (CID 115089163) is 1-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]propan-2-ol.
What is the SMILES notation for 1-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]propan-2-ol?
The canonical SMILES for 1-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]propan-2-ol is CC(O)Cc1csc(Cc2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 1-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]propan-2-ol?
The InChIKey is IUQBWFPHOCIMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NOS/c1-9(19)5-12-8-20-13(18-12)7-10-3-2-4-11(6-10)14(15,16)17/h2-4,6,8-9,19H,5,7H2,1H3.
What are the key properties of 1-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]propan-2-ol?
1-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]propan-2-ol has a molecular weight of 301.33 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]propan-2-ol is sourced from PubChem (CID 115089163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).