5-(4-aminophenyl)-N-(4-methylphenyl)-1,3,4-thiadiazol-2-amine

C15H14N4S — CID 5270667

IUPAC5-(4-aminophenyl)-N-(4-methylphenyl)-1,3,4-thiadiazol-2-amine
SMILESCc1ccc(Nc2nnc(-c3ccc(N)cc3)s2)cc1
InChIInChI=1S/C15H14N4S/c1-10-2-8-13(9-3-10)17-15-19-18-14(20-15)11-4-6-12(16)7-5-11/h2-9H,16H2,1H3,(H,17,19)
InChIKeyMQIAVOHXKKPQPU-UHFFFAOYSA-N
MW282.37 g/mol
LogP3.84
Rot. Bonds3

About 5-(4-aminophenyl)-N-(4-methylphenyl)-1,3,4-thiadiazol-2-amine

5-(4-aminophenyl)-N-(4-methylphenyl)-1,3,4-thiadiazol-2-amine (PubChem CID 5270667) has the molecular formula C15H14N4S and a molecular weight of 282.37 g/mol. Its IUPAC name is 5-(4-aminophenyl)-N-(4-methylphenyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(4-aminophenyl)-N-(4-methylphenyl)-1,3,4-thiadiazol-2-amine
PubChem CID5270667
Molecular FormulaC15H14N4S
Molecular Weight282.37 g/mol
Exact Mass282.09
IUPAC Name5-(4-aminophenyl)-N-(4-methylphenyl)-1,3,4-thiadiazol-2-amine
SMILESCc1ccc(Nc2nnc(-c3ccc(N)cc3)s2)cc1
InChIInChI=1S/C15H14N4S/c1-10-2-8-13(9-3-10)17-15-19-18-14(20-15)11-4-6-12(16)7-5-11/h2-9H,16H2,1H3,(H,17,19)
InChIKeyMQIAVOHXKKPQPU-UHFFFAOYSA-N
XLogP3.84
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-aminophenyl)-N-(4-methylphenyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(4-aminophenyl)-N-(4-methylphenyl)-1,3,4-thiadiazol-2-amine (CID 5270667) is 5-(4-aminophenyl)-N-(4-methylphenyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(4-aminophenyl)-N-(4-methylphenyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(4-aminophenyl)-N-(4-methylphenyl)-1,3,4-thiadiazol-2-amine is Cc1ccc(Nc2nnc(-c3ccc(N)cc3)s2)cc1.
What is the InChIKey of 5-(4-aminophenyl)-N-(4-methylphenyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is MQIAVOHXKKPQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4S/c1-10-2-8-13(9-3-10)17-15-19-18-14(20-15)11-4-6-12(16)7-5-11/h2-9H,16H2,1H3,(H,17,19).
What are the key properties of 5-(4-aminophenyl)-N-(4-methylphenyl)-1,3,4-thiadiazol-2-amine?
5-(4-aminophenyl)-N-(4-methylphenyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 282.37 g/mol, XLogP of 3.84, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminophenyl)-N-(4-methylphenyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 5270667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).