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

C10H18N4OS — CID 104594431

IUPAC1-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethylamino]propan-2-ol
SMILESCC(O)CNCCNc1nc(C2CC2)ns1
InChIInChI=1S/C10H18N4OS/c1-7(15)6-11-4-5-12-10-13-9(14-16-10)8-2-3-8/h7-8,11,15H,2-6H2,1H3,(H,12,13,14)
InChIKeyXTVASEVUXCGWPU-UHFFFAOYSA-N
MW242.35 g/mol
LogP0.80
Rot. Bonds7

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

1-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethylamino]propan-2-ol (PubChem CID 104594431) has the molecular formula C10H18N4OS and a molecular weight of 242.35 g/mol. Its IUPAC name is 1-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethylamino]propan-2-ol
PubChem CID104594431
Molecular FormulaC10H18N4OS
Molecular Weight242.35 g/mol
Exact Mass242.12
IUPAC Name1-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethylamino]propan-2-ol
SMILESCC(O)CNCCNc1nc(C2CC2)ns1
InChIInChI=1S/C10H18N4OS/c1-7(15)6-11-4-5-12-10-13-9(14-16-10)8-2-3-8/h7-8,11,15H,2-6H2,1H3,(H,12,13,14)
InChIKeyXTVASEVUXCGWPU-UHFFFAOYSA-N
XLogP0.80
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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 1-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethylamino]propan-2-ol?
The IUPAC name of 1-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethylamino]propan-2-ol (CID 104594431) is 1-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethylamino]propan-2-ol.
What is the SMILES notation for 1-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethylamino]propan-2-ol?
The canonical SMILES for 1-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethylamino]propan-2-ol is CC(O)CNCCNc1nc(C2CC2)ns1.
What is the InChIKey of 1-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethylamino]propan-2-ol?
The InChIKey is XTVASEVUXCGWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4OS/c1-7(15)6-11-4-5-12-10-13-9(14-16-10)8-2-3-8/h7-8,11,15H,2-6H2,1H3,(H,12,13,14).
What are the key properties of 1-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethylamino]propan-2-ol?
1-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethylamino]propan-2-ol has a molecular weight of 242.35 g/mol, XLogP of 0.80, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethylamino]propan-2-ol is sourced from PubChem (CID 104594431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).