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

C9H17N3O2S — CID 65274823

IUPAC2-[2-hydroxyethyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethanol
SMILESCCCc1nsc(N(CCO)CCO)n1
InChIInChI=1S/C9H17N3O2S/c1-2-3-8-10-9(15-11-8)12(4-6-13)5-7-14/h13-14H,2-7H2,1H3
InChIKeyRGKPXHQNXTXJSI-UHFFFAOYSA-N
MW231.32 g/mol
LogP0.28
Rot. Bonds7

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

2-[2-hydroxyethyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethanol (PubChem CID 65274823) has the molecular formula C9H17N3O2S and a molecular weight of 231.32 g/mol. Its IUPAC name is 2-[2-hydroxyethyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethanol.

Molecular Properties

Compound Name2-[2-hydroxyethyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethanol
PubChem CID65274823
Molecular FormulaC9H17N3O2S
Molecular Weight231.32 g/mol
Exact Mass231.10
IUPAC Name2-[2-hydroxyethyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethanol
SMILESCCCc1nsc(N(CCO)CCO)n1
InChIInChI=1S/C9H17N3O2S/c1-2-3-8-10-9(15-11-8)12(4-6-13)5-7-14/h13-14H,2-7H2,1H3
InChIKeyRGKPXHQNXTXJSI-UHFFFAOYSA-N
XLogP0.28
TPSA69.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3R,4S)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3,4-diol
CID 75435506
1-(3-Methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3,4-diol
CID 106673242
(2S)-1-[cyclopropyl-(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
CID 164639795
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-[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-[2,2-Difluoroethyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol
CID 107484209
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-Tert-butyl-1,2,4-thiadiazol-5-yl)-(2,2-difluoroethyl)amino]ethanol
CID 107484326

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethanol?
The IUPAC name of 2-[2-hydroxyethyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethanol (CID 65274823) is 2-[2-hydroxyethyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethanol.
What is the SMILES notation for 2-[2-hydroxyethyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethanol?
The canonical SMILES for 2-[2-hydroxyethyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethanol is CCCc1nsc(N(CCO)CCO)n1.
What is the InChIKey of 2-[2-hydroxyethyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethanol?
The InChIKey is RGKPXHQNXTXJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2S/c1-2-3-8-10-9(15-11-8)12(4-6-13)5-7-14/h13-14H,2-7H2,1H3.
What are the key properties of 2-[2-hydroxyethyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethanol?
2-[2-hydroxyethyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethanol has a molecular weight of 231.32 g/mol, XLogP of 0.28, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethanol is sourced from PubChem (CID 65274823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).