2-butan-2-ylsulfanyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol

C10H14F3NOS2 — CID 106782771

IUPAC2-butan-2-ylsulfanyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol
SMILESCCC(C)SCC(O)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C10H14F3NOS2/c1-3-6(2)16-5-7(15)8-4-14-9(17-8)10(11,12)13/h4,6-7,15H,3,5H2,1-2H3
InChIKeyNEEXHHIGIACVKP-UHFFFAOYSA-N
MW285.36 g/mol
LogP3.73
Rot. Bonds5

About 2-butan-2-ylsulfanyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol

2-butan-2-ylsulfanyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol (PubChem CID 106782771) has the molecular formula C10H14F3NOS2 and a molecular weight of 285.36 g/mol. Its IUPAC name is 2-butan-2-ylsulfanyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol.

Molecular Properties

Compound Name2-butan-2-ylsulfanyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol
PubChem CID106782771
Molecular FormulaC10H14F3NOS2
Molecular Weight285.36 g/mol
Exact Mass285.05
IUPAC Name2-butan-2-ylsulfanyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol
SMILESCCC(C)SCC(O)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C10H14F3NOS2/c1-3-6(2)16-5-7(15)8-4-14-9(17-8)10(11,12)13/h4,6-7,15H,3,5H2,1-2H3
InChIKeyNEEXHHIGIACVKP-UHFFFAOYSA-N
XLogP3.73
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-propan-2-ylsulfanyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
CID 106783287
1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butane-1,2-diol
CID 106782928
3-methylsulfanyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-ol
CID 106782108
N-methyl-2-propan-2-ylsulfanyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
CID 106783288
N,2-dimethyl-3-methylsulfanyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine
CID 114222091
2-pyridin-4-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol
CID 106782739
N-[2-propan-2-ylsulfanyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 106783290
4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-2-one
CID 106784127
2-butan-2-ylsulfanyl-1-(1-ethylimidazol-2-yl)ethanol
CID 65136113
N-ethyl-2,3-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine
CID 106785855
N-ethyl-2,2-difluoro-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
CID 106785042
2-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butanoic acid
CID 106784489

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-ylsulfanyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol?
The IUPAC name of 2-butan-2-ylsulfanyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol (CID 106782771) is 2-butan-2-ylsulfanyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol.
What is the SMILES notation for 2-butan-2-ylsulfanyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol?
The canonical SMILES for 2-butan-2-ylsulfanyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol is CCC(C)SCC(O)c1cnc(C(F)(F)F)s1.
What is the InChIKey of 2-butan-2-ylsulfanyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol?
The InChIKey is NEEXHHIGIACVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NOS2/c1-3-6(2)16-5-7(15)8-4-14-9(17-8)10(11,12)13/h4,6-7,15H,3,5H2,1-2H3.
What are the key properties of 2-butan-2-ylsulfanyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol?
2-butan-2-ylsulfanyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol has a molecular weight of 285.36 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-ylsulfanyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol is sourced from PubChem (CID 106782771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).