1-cyclopropyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol

C8H10F3N3OS — CID 107304946

IUPAC1-cyclopropyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
SMILESOC(CNc1nc(C(F)(F)F)ns1)C1CC1
InChIInChI=1S/C8H10F3N3OS/c9-8(10,11)6-13-7(16-14-6)12-3-5(15)4-1-2-4/h4-5,15H,1-3H2,(H,12,13,14)
InChIKeyXAWAWIKNWZMYQV-UHFFFAOYSA-N
MW253.25 g/mol
LogP1.74
Rot. Bonds4

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

1-cyclopropyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol (PubChem CID 107304946) has the molecular formula C8H10F3N3OS and a molecular weight of 253.25 g/mol. Its IUPAC name is 1-cyclopropyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol.

Molecular Properties

Compound Name1-cyclopropyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
PubChem CID107304946
Molecular FormulaC8H10F3N3OS
Molecular Weight253.25 g/mol
Exact Mass253.05
IUPAC Name1-cyclopropyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
SMILESOC(CNc1nc(C(F)(F)F)ns1)C1CC1
InChIInChI=1S/C8H10F3N3OS/c9-8(10,11)6-13-7(16-14-6)12-3-5(15)4-1-2-4/h4-5,15H,1-3H2,(H,12,13,14)
InChIKeyXAWAWIKNWZMYQV-UHFFFAOYSA-N
XLogP1.74
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
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-cyclopropyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol?
The IUPAC name of 1-cyclopropyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol (CID 107304946) is 1-cyclopropyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol.
What is the SMILES notation for 1-cyclopropyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol?
The canonical SMILES for 1-cyclopropyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol is OC(CNc1nc(C(F)(F)F)ns1)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol?
The InChIKey is XAWAWIKNWZMYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3OS/c9-8(10,11)6-13-7(16-14-6)12-3-5(15)4-1-2-4/h4-5,15H,1-3H2,(H,12,13,14).
What are the key properties of 1-cyclopropyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol?
1-cyclopropyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol has a molecular weight of 253.25 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-cyclopropyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol is sourced from PubChem (CID 107304946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).