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

C8H13N3OS — CID 65271146

IUPAC3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]propan-1-ol
SMILESOCCCNc1nc(C2CC2)ns1
InChIInChI=1S/C8H13N3OS/c12-5-1-4-9-8-10-7(11-13-8)6-2-3-6/h6,12H,1-5H2,(H,9,10,11)
InChIKeyOTFUEDWPSJYJLQ-UHFFFAOYSA-N
MW199.28 g/mol
LogP1.21
Rot. Bonds5

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

3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]propan-1-ol (PubChem CID 65271146) has the molecular formula C8H13N3OS and a molecular weight of 199.28 g/mol. Its IUPAC name is 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]propan-1-ol
PubChem CID65271146
Molecular FormulaC8H13N3OS
Molecular Weight199.28 g/mol
Exact Mass199.08
IUPAC Name3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]propan-1-ol
SMILESOCCCNc1nc(C2CC2)ns1
InChIInChI=1S/C8H13N3OS/c12-5-1-4-9-8-10-7(11-13-8)6-2-3-6/h6,12H,1-5H2,(H,9,10,11)
InChIKeyOTFUEDWPSJYJLQ-UHFFFAOYSA-N
XLogP1.21
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]propan-1-ol?
The IUPAC name of 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]propan-1-ol (CID 65271146) is 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]propan-1-ol.
What is the SMILES notation for 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]propan-1-ol?
The canonical SMILES for 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]propan-1-ol is OCCCNc1nc(C2CC2)ns1.
What is the InChIKey of 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]propan-1-ol?
The InChIKey is OTFUEDWPSJYJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS/c12-5-1-4-9-8-10-7(11-13-8)6-2-3-6/h6,12H,1-5H2,(H,9,10,11).
What are the key properties of 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]propan-1-ol?
3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]propan-1-ol has a molecular weight of 199.28 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]propan-1-ol is sourced from PubChem (CID 65271146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).