1-phenyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethanol

C11H10F3N3OS — CID 114448076

IUPAC1-phenyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethanol
SMILESOC(CNc1nnc(C(F)(F)F)s1)c1ccccc1
InChIInChI=1S/C11H10F3N3OS/c12-11(13,14)9-16-17-10(19-9)15-6-8(18)7-4-2-1-3-5-7/h1-5,8,18H,6H2,(H,15,17)
InChIKeyKYQHJIYMJPKXPU-UHFFFAOYSA-N
MW289.28 g/mol
LogP2.70
Rot. Bonds4

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

1-phenyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethanol (PubChem CID 114448076) has the molecular formula C11H10F3N3OS and a molecular weight of 289.28 g/mol. Its IUPAC name is 1-phenyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethanol.

Molecular Properties

Compound Name1-phenyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethanol
PubChem CID114448076
Molecular FormulaC11H10F3N3OS
Molecular Weight289.28 g/mol
Exact Mass289.05
IUPAC Name1-phenyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethanol
SMILESOC(CNc1nnc(C(F)(F)F)s1)c1ccccc1
InChIInChI=1S/C11H10F3N3OS/c12-11(13,14)9-16-17-10(19-9)15-6-8(18)7-4-2-1-3-5-7/h1-5,8,18H,6H2,(H,15,17)
InChIKeyKYQHJIYMJPKXPU-UHFFFAOYSA-N
XLogP2.70
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.28
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[5-(Ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(4-fluorophenyl)ethanol
CID 42896840
2-[[5-(Butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(4-fluorophenyl)ethanol
CID 42897359
1-(5-Cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[2-(3,4-difluorophenyl)-2-hydroxyethyl]urea
CID 45820928
1-[2-(4-Fluorophenyl)-2-hydroxyethyl]-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea
CID 45821321
1-[2-(2-Fluorophenyl)-2-hydroxyethyl]-3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)urea
CID 45821425
1-[2-(4-Fluorophenyl)-2-hydroxyethyl]-3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)urea
CID 51080309
(5-Piperidin-1-yl-1,3,4-thiadiazol-2-yl)-(3,4,5-trifluorophenyl)methanol
CID 132456210
1-(3,5-Difluorophenyl)-3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]butan-2-ol
CID 143107534
1-(3,5-Difluorophenyl)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]butan-2-ol
CID 143107600
(1S)-2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(4-fluorophenyl)ethanol
CID 40137338
(1R)-2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(4-fluorophenyl)ethanol
CID 40137339
1-[2-(4-Fluorophenyl)-2-hydroxyethyl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea
CID 45821056

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethanol?
The IUPAC name of 1-phenyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethanol (CID 114448076) is 1-phenyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethanol.
What is the SMILES notation for 1-phenyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethanol?
The canonical SMILES for 1-phenyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethanol is OC(CNc1nnc(C(F)(F)F)s1)c1ccccc1.
What is the InChIKey of 1-phenyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethanol?
The InChIKey is KYQHJIYMJPKXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3OS/c12-11(13,14)9-16-17-10(19-9)15-6-8(18)7-4-2-1-3-5-7/h1-5,8,18H,6H2,(H,15,17).
What are the key properties of 1-phenyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethanol?
1-phenyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethanol has a molecular weight of 289.28 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethanol is sourced from PubChem (CID 114448076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).