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

C16H20F3NOS — CID 142923281

IUPACethane;2-[5-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanol
SMILESCC.CCc1sc(-c2ccc(C(F)(F)F)cc2)nc1CCO
InChIInChI=1S/C14H14F3NOS.C2H6/c1-2-12-11(7-8-19)18-13(20-12)9-3-5-10(6-4-9)14(15,16)17;1-2/h3-6,19H,2,7-8H2,1H3;1-2H3
InChIKeyIIOUHJHHWNDHQS-UHFFFAOYSA-N
MW331.40 g/mol
LogP4.95
Rot. Bonds4

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

ethane;2-[5-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanol (PubChem CID 142923281) has the molecular formula C16H20F3NOS and a molecular weight of 331.40 g/mol. Its IUPAC name is ethane;2-[5-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanol.

Molecular Properties

Compound Nameethane;2-[5-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanol
PubChem CID142923281
Molecular FormulaC16H20F3NOS
Molecular Weight331.40 g/mol
Exact Mass331.12
IUPAC Nameethane;2-[5-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanol
SMILESCC.CCc1sc(-c2ccc(C(F)(F)F)cc2)nc1CCO
InChIInChI=1S/C14H14F3NOS.C2H6/c1-2-12-11(7-8-19)18-13(20-12)9-3-5-10(6-4-9)14(15,16)17;1-2/h3-6,19H,2,7-8H2,1H3;1-2H3
InChIKeyIIOUHJHHWNDHQS-UHFFFAOYSA-N
XLogP4.95
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl 4-methylbenzenesulfonate
CID 58934100
3-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-1-ol
CID 23614487
5-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbaldehyde
CID 122477140
2-[4-[2-[5-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethylsulfanyl]-2-methylphenoxy]acetic acid
CID 10288859
[4-(5-iminopentyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanol
CID 174564581
2-amino-3-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-1-ol
CID 170892960
[4-[(4-methylpiperazin-1-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanol
CID 59594676
2-[5-[2-[5-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethoxy]indol-1-yl]propanoic acid
CID 11431778
2-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanol
CID 82093697
5-(chloromethyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
CID 2783006
2-[4-[3-[4-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-1-hydroxypropyl]-2-methylphenoxy]-2-methylpropan-1-ol
CID 165402206
ethyl 4-butyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylate
CID 58934113

Frequently Asked Questions

What is the IUPAC name of ethane;2-[5-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanol?
The IUPAC name of ethane;2-[5-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanol (CID 142923281) is ethane;2-[5-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanol.
What is the SMILES notation for ethane;2-[5-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanol?
The canonical SMILES for ethane;2-[5-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanol is CC.CCc1sc(-c2ccc(C(F)(F)F)cc2)nc1CCO.
What is the InChIKey of ethane;2-[5-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanol?
The InChIKey is IIOUHJHHWNDHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NOS.C2H6/c1-2-12-11(7-8-19)18-13(20-12)9-3-5-10(6-4-9)14(15,16)17;1-2/h3-6,19H,2,7-8H2,1H3;1-2H3.
What are the key properties of ethane;2-[5-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanol?
ethane;2-[5-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanol has a molecular weight of 331.40 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[5-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanol is sourced from PubChem (CID 142923281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).