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

C7H11N3OS — CID 65271035

IUPAC2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethanol
SMILESOCCNc1nc(C2CC2)ns1
InChIInChI=1S/C7H11N3OS/c11-4-3-8-7-9-6(10-12-7)5-1-2-5/h5,11H,1-4H2,(H,8,9,10)
InChIKeyGXWMHPMENOFBSC-UHFFFAOYSA-N
MW185.25 g/mol
LogP0.82
Rot. Bonds4

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

2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethanol (PubChem CID 65271035) has the molecular formula C7H11N3OS and a molecular weight of 185.25 g/mol. Its IUPAC name is 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethanol
PubChem CID65271035
Molecular FormulaC7H11N3OS
Molecular Weight185.25 g/mol
Exact Mass185.06
IUPAC Name2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethanol
SMILESOCCNc1nc(C2CC2)ns1
InChIInChI=1S/C7H11N3OS/c11-4-3-8-7-9-6(10-12-7)5-1-2-5/h5,11H,1-4H2,(H,8,9,10)
InChIKeyGXWMHPMENOFBSC-UHFFFAOYSA-N
XLogP0.82
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethanol?
The IUPAC name of 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethanol (CID 65271035) is 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethanol.
What is the SMILES notation for 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethanol?
The canonical SMILES for 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethanol is OCCNc1nc(C2CC2)ns1.
What is the InChIKey of 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethanol?
The InChIKey is GXWMHPMENOFBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3OS/c11-4-3-8-7-9-6(10-12-7)5-1-2-5/h5,11H,1-4H2,(H,8,9,10).
What are the key properties of 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethanol?
2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethanol has a molecular weight of 185.25 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 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)amino]ethanol is sourced from PubChem (CID 65271035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).