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

C11H17N3OS — CID 102675252

IUPAC2-[cyclobutyl-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethanol
SMILESOCCN(c1nc(C2CC2)ns1)C1CCC1
InChIInChI=1S/C11H17N3OS/c15-7-6-14(9-2-1-3-9)11-12-10(13-16-11)8-4-5-8/h8-9,15H,1-7H2
InChIKeyWQZHCHXXJZZICI-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.77
Rot. Bonds5

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

2-[cyclobutyl-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethanol (PubChem CID 102675252) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-[cyclobutyl-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethanol.

Molecular Properties

Compound Name2-[cyclobutyl-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethanol
PubChem CID102675252
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name2-[cyclobutyl-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethanol
SMILESOCCN(c1nc(C2CC2)ns1)C1CCC1
InChIInChI=1S/C11H17N3OS/c15-7-6-14(9-2-1-3-9)11-12-10(13-16-11)8-4-5-8/h8-9,15H,1-7H2
InChIKeyWQZHCHXXJZZICI-UHFFFAOYSA-N
XLogP1.77
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclobutyl-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethanol?
The IUPAC name of 2-[cyclobutyl-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethanol (CID 102675252) is 2-[cyclobutyl-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethanol.
What is the SMILES notation for 2-[cyclobutyl-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethanol?
The canonical SMILES for 2-[cyclobutyl-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethanol is OCCN(c1nc(C2CC2)ns1)C1CCC1.
What is the InChIKey of 2-[cyclobutyl-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethanol?
The InChIKey is WQZHCHXXJZZICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c15-7-6-14(9-2-1-3-9)11-12-10(13-16-11)8-4-5-8/h8-9,15H,1-7H2.
What are the key properties of 2-[cyclobutyl-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethanol?
2-[cyclobutyl-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethanol has a molecular weight of 239.34 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclobutyl-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethanol is sourced from PubChem (CID 102675252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).