5-(5-iminopentyl)-1,3,4-thiadiazol-2-amine

C7H12N4S — CID 123312325

IUPAC5-(5-iminopentyl)-1,3,4-thiadiazol-2-amine
SMILES[H]/N=C/CCCCc1nnc(N)s1
InChIInChI=1S/C7H12N4S/c8-5-3-1-2-4-6-10-11-7(9)12-6/h5,8H,1-4H2,(H2,9,11)/b8-5+
InChIKeyCVRGPTFIUJDFOW-VMPITWQZSA-N
MW184.27 g/mol
LogP1.48
Rot. Bonds5

About 5-(5-iminopentyl)-1,3,4-thiadiazol-2-amine

5-(5-iminopentyl)-1,3,4-thiadiazol-2-amine (PubChem CID 123312325) has the molecular formula C7H12N4S and a molecular weight of 184.27 g/mol. Its IUPAC name is 5-(5-iminopentyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(5-iminopentyl)-1,3,4-thiadiazol-2-amine
PubChem CID123312325
Molecular FormulaC7H12N4S
Molecular Weight184.27 g/mol
Exact Mass184.08
IUPAC Name5-(5-iminopentyl)-1,3,4-thiadiazol-2-amine
SMILES[H]/N=C/CCCCc1nnc(N)s1
InChIInChI=1S/C7H12N4S/c8-5-3-1-2-4-6-10-11-7(9)12-6/h5,8H,1-4H2,(H2,9,11)/b8-5+
InChIKeyCVRGPTFIUJDFOW-VMPITWQZSA-N
XLogP1.48
TPSA75.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.27
LogP ≤ 51.48
H-Bond Donors ≤ 52
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 5-(5-iminopentyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(5-iminopentyl)-1,3,4-thiadiazol-2-amine (CID 123312325) is 5-(5-iminopentyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(5-iminopentyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(5-iminopentyl)-1,3,4-thiadiazol-2-amine is [H]/N=C/CCCCc1nnc(N)s1.
What is the InChIKey of 5-(5-iminopentyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is CVRGPTFIUJDFOW-VMPITWQZSA-N. The full InChI is InChI=1S/C7H12N4S/c8-5-3-1-2-4-6-10-11-7(9)12-6/h5,8H,1-4H2,(H2,9,11)/b8-5+.
What are the key properties of 5-(5-iminopentyl)-1,3,4-thiadiazol-2-amine?
5-(5-iminopentyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 184.27 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-iminopentyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 123312325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).