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

C7H10F3N3OS — CID 107305164

IUPAC1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butan-2-ol
SMILESCCC(O)CNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C7H10F3N3OS/c1-2-4(14)3-11-6-12-5(13-15-6)7(8,9)10/h4,14H,2-3H2,1H3,(H,11,12,13)
InChIKeyDIKAMWPGTINKQE-UHFFFAOYSA-N
MW241.24 g/mol
LogP1.74
Rot. Bonds4

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

1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butan-2-ol (PubChem CID 107305164) has the molecular formula C7H10F3N3OS and a molecular weight of 241.24 g/mol. Its IUPAC name is 1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butan-2-ol.

Molecular Properties

Compound Name1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butan-2-ol
PubChem CID107305164
Molecular FormulaC7H10F3N3OS
Molecular Weight241.24 g/mol
Exact Mass241.05
IUPAC Name1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butan-2-ol
SMILESCCC(O)CNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C7H10F3N3OS/c1-2-4(14)3-11-6-12-5(13-15-6)7(8,9)10/h4,14H,2-3H2,1H3,(H,11,12,13)
InChIKeyDIKAMWPGTINKQE-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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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butan-2-ol?
The IUPAC name of 1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butan-2-ol (CID 107305164) is 1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butan-2-ol.
What is the SMILES notation for 1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butan-2-ol?
The canonical SMILES for 1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butan-2-ol is CCC(O)CNc1nc(C(F)(F)F)ns1.
What is the InChIKey of 1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butan-2-ol?
The InChIKey is DIKAMWPGTINKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3OS/c1-2-4(14)3-11-6-12-5(13-15-6)7(8,9)10/h4,14H,2-3H2,1H3,(H,11,12,13).
What are the key properties of 1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butan-2-ol?
1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butan-2-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 1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butan-2-ol is sourced from PubChem (CID 107305164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).