4-ethyl-N-[3-(triazol-1-yl)propyl]-1,3-thiazolidin-2-imine

C10H17N5S — CID 136824831

IUPAC4-ethyl-N-[3-(triazol-1-yl)propyl]-1,3-thiazolidin-2-imine
SMILESCCC1CS/C(=N\CCCn2ccnn2)N1
InChIInChI=1S/C10H17N5S/c1-2-9-8-16-10(13-9)11-4-3-6-15-7-5-12-14-15/h5,7,9H,2-4,6,8H2,1H3,(H,11,13)
InChIKeyMCSPDKCISBUKCH-UHFFFAOYSA-N
MW239.35 g/mol
LogP1.14
Rot. Bonds5

About 4-ethyl-N-[3-(triazol-1-yl)propyl]-1,3-thiazolidin-2-imine

4-ethyl-N-[3-(triazol-1-yl)propyl]-1,3-thiazolidin-2-imine (PubChem CID 136824831) has the molecular formula C10H17N5S and a molecular weight of 239.35 g/mol. Its IUPAC name is 4-ethyl-N-[3-(triazol-1-yl)propyl]-1,3-thiazolidin-2-imine.

Molecular Properties

Compound Name4-ethyl-N-[3-(triazol-1-yl)propyl]-1,3-thiazolidin-2-imine
PubChem CID136824831
Molecular FormulaC10H17N5S
Molecular Weight239.35 g/mol
Exact Mass239.12
IUPAC Name4-ethyl-N-[3-(triazol-1-yl)propyl]-1,3-thiazolidin-2-imine
SMILESCCC1CS/C(=N\CCCn2ccnn2)N1
InChIInChI=1S/C10H17N5S/c1-2-9-8-16-10(13-9)11-4-3-6-15-7-5-12-14-15/h5,7,9H,2-4,6,8H2,1H3,(H,11,13)
InChIKeyMCSPDKCISBUKCH-UHFFFAOYSA-N
XLogP1.14
TPSA55.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.35
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[3-(triazol-1-yl)propyl]-1,3-thiazolidin-2-imine?
The IUPAC name of 4-ethyl-N-[3-(triazol-1-yl)propyl]-1,3-thiazolidin-2-imine (CID 136824831) is 4-ethyl-N-[3-(triazol-1-yl)propyl]-1,3-thiazolidin-2-imine.
What is the SMILES notation for 4-ethyl-N-[3-(triazol-1-yl)propyl]-1,3-thiazolidin-2-imine?
The canonical SMILES for 4-ethyl-N-[3-(triazol-1-yl)propyl]-1,3-thiazolidin-2-imine is CCC1CS/C(=N\CCCn2ccnn2)N1.
What is the InChIKey of 4-ethyl-N-[3-(triazol-1-yl)propyl]-1,3-thiazolidin-2-imine?
The InChIKey is MCSPDKCISBUKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5S/c1-2-9-8-16-10(13-9)11-4-3-6-15-7-5-12-14-15/h5,7,9H,2-4,6,8H2,1H3,(H,11,13).
What are the key properties of 4-ethyl-N-[3-(triazol-1-yl)propyl]-1,3-thiazolidin-2-imine?
4-ethyl-N-[3-(triazol-1-yl)propyl]-1,3-thiazolidin-2-imine has a molecular weight of 239.35 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[3-(triazol-1-yl)propyl]-1,3-thiazolidin-2-imine is sourced from PubChem (CID 136824831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).