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

C9H13F2N3OS — CID 107484238

IUPAC2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-(2,2-difluoroethyl)amino]ethanol
SMILESOCCN(CC(F)F)c1nc(C2CC2)ns1
InChIInChI=1S/C9H13F2N3OS/c10-7(11)5-14(3-4-15)9-12-8(13-16-9)6-1-2-6/h6-7,15H,1-5H2
InChIKeyWINJMUSJBXYUHY-UHFFFAOYSA-N
MW249.29 g/mol
LogP1.48
Rot. Bonds6

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

2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-(2,2-difluoroethyl)amino]ethanol (PubChem CID 107484238) has the molecular formula C9H13F2N3OS and a molecular weight of 249.29 g/mol. Its IUPAC name is 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-(2,2-difluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-(2,2-difluoroethyl)amino]ethanol
PubChem CID107484238
Molecular FormulaC9H13F2N3OS
Molecular Weight249.29 g/mol
Exact Mass249.07
IUPAC Name2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-(2,2-difluoroethyl)amino]ethanol
SMILESOCCN(CC(F)F)c1nc(C2CC2)ns1
InChIInChI=1S/C9H13F2N3OS/c10-7(11)5-14(3-4-15)9-12-8(13-16-9)6-1-2-6/h6-7,15H,1-5H2
InChIKeyWINJMUSJBXYUHY-UHFFFAOYSA-N
XLogP1.48
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258561
3-[(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-1,1,1-trifluoropropan-2-ol
CID 103736425
3-[(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-1,1-difluoropropan-2-ol
CID 103894633
3-[(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-2,2-difluoropropan-1-ol
CID 104858587
2-[Propan-2-yl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107305659
2-[Cyclopropyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107305662
2-[Ethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107305672
2-[2-Hydroxyethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107305676
2-[Propyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107305679
2-[Butyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107305680
2-[Pentan-3-yl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107305683
2-[Cyclopentyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107305687

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-(2,2-difluoroethyl)amino]ethanol?
The IUPAC name of 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-(2,2-difluoroethyl)amino]ethanol (CID 107484238) is 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-(2,2-difluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-(2,2-difluoroethyl)amino]ethanol?
The canonical SMILES for 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-(2,2-difluoroethyl)amino]ethanol is OCCN(CC(F)F)c1nc(C2CC2)ns1.
What is the InChIKey of 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-(2,2-difluoroethyl)amino]ethanol?
The InChIKey is WINJMUSJBXYUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N3OS/c10-7(11)5-14(3-4-15)9-12-8(13-16-9)6-1-2-6/h6-7,15H,1-5H2.
What are the key properties of 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-(2,2-difluoroethyl)amino]ethanol?
2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-(2,2-difluoroethyl)amino]ethanol has a molecular weight of 249.29 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-(2,2-difluoroethyl)amino]ethanol is sourced from PubChem (CID 107484238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).