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

C9H15N3O2S — CID 65274881

IUPAC2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-(2-hydroxyethyl)amino]ethanol
SMILESOCCN(CCO)c1nc(C2CC2)ns1
InChIInChI=1S/C9H15N3O2S/c13-5-3-12(4-6-14)9-10-8(11-15-9)7-1-2-7/h7,13-14H,1-6H2
InChIKeyIBWFNRBGOKOWKI-UHFFFAOYSA-N
MW229.30 g/mol
LogP0.21
Rot. Bonds6

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

2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-(2-hydroxyethyl)amino]ethanol (PubChem CID 65274881) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-(2-hydroxyethyl)amino]ethanol
PubChem CID65274881
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC Name2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-(2-hydroxyethyl)amino]ethanol
SMILESOCCN(CCO)c1nc(C2CC2)ns1
InChIInChI=1S/C9H15N3O2S/c13-5-3-12(4-6-14)9-10-8(11-15-9)7-1-2-7/h7,13-14H,1-6H2
InChIKeyIBWFNRBGOKOWKI-UHFFFAOYSA-N
XLogP0.21
TPSA69.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)morpholine
CID 71925342
(2S)-1-[cyclopropyl-(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
CID 164639795
2-[2,2-Difluoroethyl-(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethanol
CID 107484110
2-[2,2-Difluoroethyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethanol
CID 107484111
2-[(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)-(2,2-difluoroethyl)amino]ethanol
CID 107484238
2-[2,2-Difluoroethyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethanol
CID 107484247
2-[(3-Ethyl-1,2,4-thiadiazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484410
2-[(3-Propan-2-yl-1,2,4-thiadiazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484411
2-[(3-Propyl-1,2,4-thiadiazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484532
(2S)-3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-(3,3,3-trifluoropropyl)amino]propane-1,2-diol
CID 111977001
2-[(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 113964937
3-[(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)-(2-hydroxyethyl)amino]propan-1-ol
CID 71860364

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-(2-hydroxyethyl)amino]ethanol (CID 65274881) is 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-(2-hydroxyethyl)amino]ethanol is OCCN(CCO)c1nc(C2CC2)ns1.
What is the InChIKey of 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-(2-hydroxyethyl)amino]ethanol?
The InChIKey is IBWFNRBGOKOWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c13-5-3-12(4-6-14)9-10-8(11-15-9)7-1-2-7/h7,13-14H,1-6H2.
What are the key properties of 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-(2-hydroxyethyl)amino]ethanol?
2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-(2-hydroxyethyl)amino]ethanol has a molecular weight of 229.30 g/mol, XLogP of 0.21, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 65274881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).