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

C10H17N3O2S — CID 71860364

IUPAC3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-(2-hydroxyethyl)amino]propan-1-ol
SMILESOCCCN(CCO)c1nc(C2CC2)ns1
InChIInChI=1S/C10H17N3O2S/c14-6-1-4-13(5-7-15)10-11-9(12-16-10)8-2-3-8/h8,14-15H,1-7H2
InChIKeyYEVXPQMFJDTRPP-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.60
Rot. Bonds7

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

3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-(2-hydroxyethyl)amino]propan-1-ol (PubChem CID 71860364) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-(2-hydroxyethyl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-(2-hydroxyethyl)amino]propan-1-ol
PubChem CID71860364
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-(2-hydroxyethyl)amino]propan-1-ol
SMILESOCCCN(CCO)c1nc(C2CC2)ns1
InChIInChI=1S/C10H17N3O2S/c14-6-1-4-13(5-7-15)10-11-9(12-16-10)8-2-3-8/h8,14-15H,1-7H2
InChIKeyYEVXPQMFJDTRPP-UHFFFAOYSA-N
XLogP0.60
TPSA69.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(1-(3-Ethyl-1,2,4-thiadiazol-5-yl)azetidin-3-yl)methanol
CID 65992507
(2S)-1-[cyclopropyl-(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
CID 164639795
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-[(3-Propan-2-yl-1,2,4-thiadiazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484411
(2S)-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-(3,3,3-trifluoropropyl)amino]propane-1,2-diol
CID 111976999
(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)amino]propan-1-ol
CID 65271146
2-[Cyclopropyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol
CID 65273152
2-[(3-Methyl-1,2,4-thiadiazol-5-yl)-propylamino]ethanol
CID 65273273
2-[Butyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol
CID 65273331

Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-(2-hydroxyethyl)amino]propan-1-ol?
The IUPAC name of 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-(2-hydroxyethyl)amino]propan-1-ol (CID 71860364) is 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-(2-hydroxyethyl)amino]propan-1-ol.
What is the SMILES notation for 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-(2-hydroxyethyl)amino]propan-1-ol?
The canonical SMILES for 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-(2-hydroxyethyl)amino]propan-1-ol is OCCCN(CCO)c1nc(C2CC2)ns1.
What is the InChIKey of 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-(2-hydroxyethyl)amino]propan-1-ol?
The InChIKey is YEVXPQMFJDTRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c14-6-1-4-13(5-7-15)10-11-9(12-16-10)8-2-3-8/h8,14-15H,1-7H2.
What are the key properties of 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-(2-hydroxyethyl)amino]propan-1-ol?
3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-(2-hydroxyethyl)amino]propan-1-ol has a molecular weight of 243.33 g/mol, XLogP of 0.60, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-(2-hydroxyethyl)amino]propan-1-ol is sourced from PubChem (CID 71860364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).