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

C6H8F3N3OS — CID 107304711

IUPAC1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol
SMILESCC(O)CNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C6H8F3N3OS/c1-3(13)2-10-5-11-4(12-14-5)6(7,8)9/h3,13H,2H2,1H3,(H,10,11,12)
InChIKeyPOCOFPGLYDVION-UHFFFAOYSA-N
MW227.21 g/mol
LogP1.35
Rot. Bonds3

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

1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol (PubChem CID 107304711) has the molecular formula C6H8F3N3OS and a molecular weight of 227.21 g/mol. Its IUPAC name is 1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol.

Molecular Properties

Compound Name1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol
PubChem CID107304711
Molecular FormulaC6H8F3N3OS
Molecular Weight227.21 g/mol
Exact Mass227.03
IUPAC Name1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol
SMILESCC(O)CNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C6H8F3N3OS/c1-3(13)2-10-5-11-4(12-14-5)6(7,8)9/h3,13H,2H2,1H3,(H,10,11,12)
InChIKeyPOCOFPGLYDVION-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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Related Compounds

(2R)-3,3-dimethyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butan-1-ol
CID 124738378
N-(2-methoxyethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304642
N-(2-methoxyethyl)-3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
CID 65268347
3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine
CID 65272894
3-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine
CID 65274037
3-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine
CID 65274038
N-(2-methoxyethyl)-3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine
CID 79964782
2-[[5-(Trifluoromethyl)-1,2,4-thiadiazol-3-yl]methylamino]ethanol
CID 83959821
N-[2-(2,2-difluoroethoxy)ethyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 103081419
N-[2-(2,2-difluoroethoxy)ethyl]-3-ethyl-1,2,4-thiadiazol-5-amine
CID 103081617
N-ethyl-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-thiadiazol-5-amine
CID 103476985
N-propyl-3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-thiadiazol-5-amine
CID 103476986

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol?
The IUPAC name of 1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol (CID 107304711) is 1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol.
What is the SMILES notation for 1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol?
The canonical SMILES for 1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol is CC(O)CNc1nc(C(F)(F)F)ns1.
What is the InChIKey of 1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol?
The InChIKey is POCOFPGLYDVION-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3OS/c1-3(13)2-10-5-11-4(12-14-5)6(7,8)9/h3,13H,2H2,1H3,(H,10,11,12).
What are the key properties of 1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol?
1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-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 1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol is sourced from PubChem (CID 107304711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).