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

C7H10F3N3OS — CID 107304709

IUPAC2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butan-1-ol
SMILESCCC(CO)Nc1nc(C(F)(F)F)ns1
InChIInChI=1S/C7H10F3N3OS/c1-2-4(3-14)11-6-12-5(13-15-6)7(8,9)10/h4,14H,2-3H2,1H3,(H,11,12,13)
InChIKeyZRWWERUARIIDKX-UHFFFAOYSA-N
MW241.24 g/mol
LogP1.74
Rot. Bonds4

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

2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butan-1-ol (PubChem CID 107304709) has the molecular formula C7H10F3N3OS and a molecular weight of 241.24 g/mol. Its IUPAC name is 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butan-1-ol.

Molecular Properties

Compound Name2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butan-1-ol
PubChem CID107304709
Molecular FormulaC7H10F3N3OS
Molecular Weight241.24 g/mol
Exact Mass241.05
IUPAC Name2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butan-1-ol
SMILESCCC(CO)Nc1nc(C(F)(F)F)ns1
InChIInChI=1S/C7H10F3N3OS/c1-2-4(3-14)11-6-12-5(13-15-6)7(8,9)10/h4,14H,2-3H2,1H3,(H,11,12,13)
InChIKeyZRWWERUARIIDKX-UHFFFAOYSA-N
XLogP1.74
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 51.74
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
N-propan-2-yl-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-thiadiazol-5-amine
CID 103476989
1,1,1-Trifluoro-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
CID 103702775
3-[(3-Ethyl-1,2,4-thiadiazol-5-yl)amino]-1,1,1-trifluoropropan-2-ol
CID 103736426
1,1,1-Trifluoro-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
CID 103736428
1,1-Difluoro-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
CID 103894632
1,1-Difluoro-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
CID 103894635
3-[(3-Ethyl-1,2,4-thiadiazol-5-yl)amino]-1,1-difluoropropan-2-ol
CID 103894639
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

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butan-1-ol?
The IUPAC name of 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butan-1-ol (CID 107304709) is 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butan-1-ol.
What is the SMILES notation for 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butan-1-ol?
The canonical SMILES for 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butan-1-ol is CCC(CO)Nc1nc(C(F)(F)F)ns1.
What is the InChIKey of 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butan-1-ol?
The InChIKey is ZRWWERUARIIDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3OS/c1-2-4(3-14)11-6-12-5(13-15-6)7(8,9)10/h4,14H,2-3H2,1H3,(H,11,12,13).
What are the key properties of 2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butan-1-ol?
2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butan-1-ol has a molecular weight of 241.24 g/mol, XLogP of 1.74, 4 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]butan-1-ol is sourced from PubChem (CID 107304709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).