4-ethoxy-1-oxo-N-[(1R)-1-phenylpropyl]-1,2,5-thiadiazol-3-amine

C13H17N3O2S — CID 59675555

IUPAC4-ethoxy-1-oxo-N-[(1R)-1-phenylpropyl]-1,2,5-thiadiazol-3-amine
SMILESCCOC1=NS(=O)N=C1N[C@H](CC)c1ccccc1
InChIInChI=1S/C13H17N3O2S/c1-3-11(10-8-6-5-7-9-10)14-12-13(18-4-2)16-19(17)15-12/h5-9,11H,3-4H2,1-2H3,(H,14,15)/t11-,19?/m1/s1
InChIKeyCTWCZAZDRPKQPG-AMIJKRQISA-N
MW279.37 g/mol
LogP2.15
Rot. Bonds4

About 4-ethoxy-1-oxo-N-[(1R)-1-phenylpropyl]-1,2,5-thiadiazol-3-amine

4-ethoxy-1-oxo-N-[(1R)-1-phenylpropyl]-1,2,5-thiadiazol-3-amine (PubChem CID 59675555) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is 4-ethoxy-1-oxo-N-[(1R)-1-phenylpropyl]-1,2,5-thiadiazol-3-amine.

Molecular Properties

Compound Name4-ethoxy-1-oxo-N-[(1R)-1-phenylpropyl]-1,2,5-thiadiazol-3-amine
PubChem CID59675555
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC Name4-ethoxy-1-oxo-N-[(1R)-1-phenylpropyl]-1,2,5-thiadiazol-3-amine
SMILESCCOC1=NS(=O)N=C1N[C@H](CC)c1ccccc1
InChIInChI=1S/C13H17N3O2S/c1-3-11(10-8-6-5-7-9-10)14-12-13(18-4-2)16-19(17)15-12/h5-9,11H,3-4H2,1-2H3,(H,14,15)/t11-,19?/m1/s1
InChIKeyCTWCZAZDRPKQPG-AMIJKRQISA-N
XLogP2.15
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-oxo-N-[(1R)-1-phenylpropyl]-1,2,5-thiadiazol-3-amine?
The IUPAC name of 4-ethoxy-1-oxo-N-[(1R)-1-phenylpropyl]-1,2,5-thiadiazol-3-amine (CID 59675555) is 4-ethoxy-1-oxo-N-[(1R)-1-phenylpropyl]-1,2,5-thiadiazol-3-amine.
What is the SMILES notation for 4-ethoxy-1-oxo-N-[(1R)-1-phenylpropyl]-1,2,5-thiadiazol-3-amine?
The canonical SMILES for 4-ethoxy-1-oxo-N-[(1R)-1-phenylpropyl]-1,2,5-thiadiazol-3-amine is CCOC1=NS(=O)N=C1N[C@H](CC)c1ccccc1.
What is the InChIKey of 4-ethoxy-1-oxo-N-[(1R)-1-phenylpropyl]-1,2,5-thiadiazol-3-amine?
The InChIKey is CTWCZAZDRPKQPG-AMIJKRQISA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-3-11(10-8-6-5-7-9-10)14-12-13(18-4-2)16-19(17)15-12/h5-9,11H,3-4H2,1-2H3,(H,14,15)/t11-,19?/m1/s1.
What are the key properties of 4-ethoxy-1-oxo-N-[(1R)-1-phenylpropyl]-1,2,5-thiadiazol-3-amine?
4-ethoxy-1-oxo-N-[(1R)-1-phenylpropyl]-1,2,5-thiadiazol-3-amine has a molecular weight of 279.37 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1-oxo-N-[(1R)-1-phenylpropyl]-1,2,5-thiadiazol-3-amine is sourced from PubChem (CID 59675555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).