1-(1,2,4-thiadiazol-5-yl)propan-2-imine

C5H7N3S — CID 54474176

IUPAC1-(1,2,4-thiadiazol-5-yl)propan-2-imine
SMILES[H]/N=C(\C)Cc1ncns1
InChIInChI=1S/C5H7N3S/c1-4(6)2-5-7-3-8-9-5/h3,6H,2H2,1H3/b6-4+
InChIKeyXKJUURGSEOYTKX-GQCTYLIASA-N
MW141.20 g/mol
LogP1.12
Rot. Bonds2

About 1-(1,2,4-thiadiazol-5-yl)propan-2-imine

1-(1,2,4-thiadiazol-5-yl)propan-2-imine (PubChem CID 54474176) has the molecular formula C5H7N3S and a molecular weight of 141.20 g/mol. Its IUPAC name is 1-(1,2,4-thiadiazol-5-yl)propan-2-imine.

Molecular Properties

Compound Name1-(1,2,4-thiadiazol-5-yl)propan-2-imine
PubChem CID54474176
Molecular FormulaC5H7N3S
Molecular Weight141.20 g/mol
Exact Mass141.04
IUPAC Name1-(1,2,4-thiadiazol-5-yl)propan-2-imine
SMILES[H]/N=C(\C)Cc1ncns1
InChIInChI=1S/C5H7N3S/c1-4(6)2-5-7-3-8-9-5/h3,6H,2H2,1H3/b6-4+
InChIKeyXKJUURGSEOYTKX-GQCTYLIASA-N
XLogP1.12
TPSA49.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.20
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2,4-thiadiazol-5-yl)propan-2-imine?
The IUPAC name of 1-(1,2,4-thiadiazol-5-yl)propan-2-imine (CID 54474176) is 1-(1,2,4-thiadiazol-5-yl)propan-2-imine.
What is the SMILES notation for 1-(1,2,4-thiadiazol-5-yl)propan-2-imine?
The canonical SMILES for 1-(1,2,4-thiadiazol-5-yl)propan-2-imine is [H]/N=C(\C)Cc1ncns1.
What is the InChIKey of 1-(1,2,4-thiadiazol-5-yl)propan-2-imine?
The InChIKey is XKJUURGSEOYTKX-GQCTYLIASA-N. The full InChI is InChI=1S/C5H7N3S/c1-4(6)2-5-7-3-8-9-5/h3,6H,2H2,1H3/b6-4+.
What are the key properties of 1-(1,2,4-thiadiazol-5-yl)propan-2-imine?
1-(1,2,4-thiadiazol-5-yl)propan-2-imine has a molecular weight of 141.20 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,4-thiadiazol-5-yl)propan-2-imine is sourced from PubChem (CID 54474176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).