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

C10H12N4S — CID 5270656

IUPAC5-(4-aminophenyl)-N-ethyl-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(-c2ccc(N)cc2)s1
InChIInChI=1S/C10H12N4S/c1-2-12-10-14-13-9(15-10)7-3-5-8(11)6-4-7/h3-6H,2,11H2,1H3,(H,12,14)
InChIKeyVPDVTWDFRAABBG-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.22
Rot. Bonds3

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

5-(4-aminophenyl)-N-ethyl-1,3,4-thiadiazol-2-amine (PubChem CID 5270656) has the molecular formula C10H12N4S and a molecular weight of 220.30 g/mol. Its IUPAC name is 5-(4-aminophenyl)-N-ethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(4-aminophenyl)-N-ethyl-1,3,4-thiadiazol-2-amine
PubChem CID5270656
Molecular FormulaC10H12N4S
Molecular Weight220.30 g/mol
Exact Mass220.08
IUPAC Name5-(4-aminophenyl)-N-ethyl-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(-c2ccc(N)cc2)s1
InChIInChI=1S/C10H12N4S/c1-2-12-10-14-13-9(15-10)7-3-5-8(11)6-4-7/h3-6H,2,11H2,1H3,(H,12,14)
InChIKeyVPDVTWDFRAABBG-UHFFFAOYSA-N
XLogP2.22
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.22
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-ethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(4-aminophenyl)-N-ethyl-1,3,4-thiadiazol-2-amine (CID 5270656) is 5-(4-aminophenyl)-N-ethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(4-aminophenyl)-N-ethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(4-aminophenyl)-N-ethyl-1,3,4-thiadiazol-2-amine is CCNc1nnc(-c2ccc(N)cc2)s1.
What is the InChIKey of 5-(4-aminophenyl)-N-ethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is VPDVTWDFRAABBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4S/c1-2-12-10-14-13-9(15-10)7-3-5-8(11)6-4-7/h3-6H,2,11H2,1H3,(H,12,14).
What are the key properties of 5-(4-aminophenyl)-N-ethyl-1,3,4-thiadiazol-2-amine?
5-(4-aminophenyl)-N-ethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 220.30 g/mol, XLogP of 2.22, 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-ethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 5270656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).