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

C8H12F3N3OS — CID 114448603

IUPAC2-[propyl-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethanol
SMILESCCCN(CCO)c1nnc(C(F)(F)F)s1
InChIInChI=1S/C8H12F3N3OS/c1-2-3-14(4-5-15)7-13-12-6(16-7)8(9,10)11/h15H,2-5H2,1H3
InChIKeyNICYBUYOATUPGK-UHFFFAOYSA-N
MW255.26 g/mol
LogP1.77
Rot. Bonds5

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

2-[propyl-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethanol (PubChem CID 114448603) has the molecular formula C8H12F3N3OS and a molecular weight of 255.26 g/mol. Its IUPAC name is 2-[propyl-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[propyl-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethanol
PubChem CID114448603
Molecular FormulaC8H12F3N3OS
Molecular Weight255.26 g/mol
Exact Mass255.07
IUPAC Name2-[propyl-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethanol
SMILESCCCN(CCO)c1nnc(C(F)(F)F)s1
InChIInChI=1S/C8H12F3N3OS/c1-2-3-14(4-5-15)7-13-12-6(16-7)8(9,10)11/h15H,2-5H2,1H3
InChIKeyNICYBUYOATUPGK-UHFFFAOYSA-N
XLogP1.77
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.26
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[propyl-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethanol?
The IUPAC name of 2-[propyl-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethanol (CID 114448603) is 2-[propyl-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethanol.
What is the SMILES notation for 2-[propyl-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethanol?
The canonical SMILES for 2-[propyl-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethanol is CCCN(CCO)c1nnc(C(F)(F)F)s1.
What is the InChIKey of 2-[propyl-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethanol?
The InChIKey is NICYBUYOATUPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3OS/c1-2-3-14(4-5-15)7-13-12-6(16-7)8(9,10)11/h15H,2-5H2,1H3.
What are the key properties of 2-[propyl-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethanol?
2-[propyl-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethanol has a molecular weight of 255.26 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propyl-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethanol is sourced from PubChem (CID 114448603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).