2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol

C6H8F3N3OS — CID 107304712

IUPAC2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol
SMILESCC(CO)Nc1nc(C(F)(F)F)ns1
InChIInChI=1S/C6H8F3N3OS/c1-3(2-13)10-5-11-4(12-14-5)6(7,8)9/h3,13H,2H2,1H3,(H,10,11,12)
InChIKeyLWALPAOFKIGTQJ-UHFFFAOYSA-N
MW227.21 g/mol
LogP1.35
Rot. Bonds3

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

2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol (PubChem CID 107304712) has the molecular formula C6H8F3N3OS and a molecular weight of 227.21 g/mol. Its IUPAC name is 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol.

Molecular Properties

Compound Name2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol
PubChem CID107304712
Molecular FormulaC6H8F3N3OS
Molecular Weight227.21 g/mol
Exact Mass227.03
IUPAC Name2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol
SMILESCC(CO)Nc1nc(C(F)(F)F)ns1
InChIInChI=1S/C6H8F3N3OS/c1-3(2-13)10-5-11-4(12-14-5)6(7,8)9/h3,13H,2H2,1H3,(H,10,11,12)
InChIKeyLWALPAOFKIGTQJ-UHFFFAOYSA-N
XLogP1.35
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.21
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol?
The IUPAC name of 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol (CID 107304712) is 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol.
What is the SMILES notation for 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol?
The canonical SMILES for 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol is CC(CO)Nc1nc(C(F)(F)F)ns1.
What is the InChIKey of 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol?
The InChIKey is LWALPAOFKIGTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3OS/c1-3(2-13)10-5-11-4(12-14-5)6(7,8)9/h3,13H,2H2,1H3,(H,10,11,12).
What are the key properties of 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol?
2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol has a molecular weight of 227.21 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol is sourced from PubChem (CID 107304712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).