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

C8H12F3N3OS — CID 107305730

IUPAC3-[ethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol
SMILESCCN(CCCO)c1nc(C(F)(F)F)ns1
InChIInChI=1S/C8H12F3N3OS/c1-2-14(4-3-5-15)7-12-6(13-16-7)8(9,10)11/h15H,2-5H2,1H3
InChIKeyIILFZKOZERBNST-UHFFFAOYSA-N
MW255.26 g/mol
LogP1.77
Rot. Bonds5

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

3-[ethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol (PubChem CID 107305730) has the molecular formula C8H12F3N3OS and a molecular weight of 255.26 g/mol. Its IUPAC name is 3-[ethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[ethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol
PubChem CID107305730
Molecular FormulaC8H12F3N3OS
Molecular Weight255.26 g/mol
Exact Mass255.07
IUPAC Name3-[ethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol
SMILESCCN(CCCO)c1nc(C(F)(F)F)ns1
InChIInChI=1S/C8H12F3N3OS/c1-2-14(4-3-5-15)7-12-6(13-16-7)8(9,10)11/h15H,2-5H2,1H3
InChIKeyIILFZKOZERBNST-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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Related Compounds

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-Tert-butyl-1,2,4-thiadiazol-5-yl)amino]-2,2-difluoropropan-1-ol
CID 104952840
2,2-Difluoro-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol
CID 106171882
2,2-Difluoro-3-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propan-1-ol
CID 106172174
3-[Ethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanoic acid
CID 107304289
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
2,2-Dimethyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol
CID 107305071
1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-ol
CID 107305657
2-[Propan-2-yl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107305659

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol?
The IUPAC name of 3-[ethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol (CID 107305730) is 3-[ethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol.
What is the SMILES notation for 3-[ethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol?
The canonical SMILES for 3-[ethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol is CCN(CCCO)c1nc(C(F)(F)F)ns1.
What is the InChIKey of 3-[ethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol?
The InChIKey is IILFZKOZERBNST-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3OS/c1-2-14(4-3-5-15)7-12-6(13-16-7)8(9,10)11/h15H,2-5H2,1H3.
What are the key properties of 3-[ethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol?
3-[ethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol 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 3-[ethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol is sourced from PubChem (CID 107305730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).