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

C6H8F3N3OS — CID 107306029

IUPAC3-amino-2-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propan-1-ol
SMILESNCC(CO)c1nc(C(F)(F)F)ns1
InChIInChI=1S/C6H8F3N3OS/c7-6(8,9)5-11-4(14-12-5)3(1-10)2-13/h3,13H,1-2,10H2
InChIKeyUUGWEFDMRHERHL-UHFFFAOYSA-N
MW227.21 g/mol
LogP0.59
Rot. Bonds3

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

3-amino-2-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propan-1-ol (PubChem CID 107306029) has the molecular formula C6H8F3N3OS and a molecular weight of 227.21 g/mol. Its IUPAC name is 3-amino-2-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propan-1-ol.

Molecular Properties

Compound Name3-amino-2-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propan-1-ol
PubChem CID107306029
Molecular FormulaC6H8F3N3OS
Molecular Weight227.21 g/mol
Exact Mass227.03
IUPAC Name3-amino-2-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propan-1-ol
SMILESNCC(CO)c1nc(C(F)(F)F)ns1
InChIInChI=1S/C6H8F3N3OS/c7-6(8,9)5-11-4(14-12-5)3(1-10)2-13/h3,13H,1-2,10H2
InChIKeyUUGWEFDMRHERHL-UHFFFAOYSA-N
XLogP0.59
TPSA72.03 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 ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,3,3-Trifluoro-2-(3-methyl-1,2,4-thiadiazol-5-yl)propan-1-amine
CID 82394683
3-[[5-(Trifluoromethyl)-1,2,4-thiadiazol-3-yl]methylamino]propan-1-ol
CID 83959822
2,2-Difluoro-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-1-ol
CID 104858477
2,2-Difluoro-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-1-ol
CID 104858511
3-[(3-Ethyl-1,2,4-thiadiazol-5-yl)amino]-2,2-difluoropropan-1-ol
CID 104858586
3-[(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-2,2-difluoropropan-1-ol
CID 104858587
3-[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol
CID 107304693
2-Methyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol
CID 107305000
3-Hydroxy-2-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propanenitrile
CID 107306020
3-Amino-2-(3-methyl-1,2,4-thiadiazol-5-yl)propan-1-ol
CID 65272930
3-Amino-2-(1,2,4-thiadiazol-5-yl)propan-1-ol
CID 65277509
3-Amino-2-(3-tert-butyl-1,2,4-thiadiazol-5-yl)propan-1-ol
CID 65277510

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propan-1-ol?
The IUPAC name of 3-amino-2-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propan-1-ol (CID 107306029) is 3-amino-2-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propan-1-ol.
What is the SMILES notation for 3-amino-2-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propan-1-ol?
The canonical SMILES for 3-amino-2-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propan-1-ol is NCC(CO)c1nc(C(F)(F)F)ns1.
What is the InChIKey of 3-amino-2-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propan-1-ol?
The InChIKey is UUGWEFDMRHERHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3OS/c7-6(8,9)5-11-4(14-12-5)3(1-10)2-13/h3,13H,1-2,10H2.
What are the key properties of 3-amino-2-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propan-1-ol?
3-amino-2-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propan-1-ol has a molecular weight of 227.21 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propan-1-ol is sourced from PubChem (CID 107306029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).