5-(3-aminophenyl)-N-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-amine

C15H12N6S — CID 134392859

IUPAC5-(3-aminophenyl)-N-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-amine
SMILESNc1cccc(-c2nnc(Nc3ccc4[nH]ncc4c3)s2)c1
InChIInChI=1S/C15H12N6S/c16-11-3-1-2-9(6-11)14-20-21-15(22-14)18-12-4-5-13-10(7-12)8-17-19-13/h1-8H,16H2,(H,17,19)(H,18,21)
InChIKeyJXBIWWMYEJUYGE-UHFFFAOYSA-N
MW308.37 g/mol
LogP3.41
Rot. Bonds3

About 5-(3-aminophenyl)-N-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-amine

5-(3-aminophenyl)-N-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-amine (PubChem CID 134392859) has the molecular formula C15H12N6S and a molecular weight of 308.37 g/mol. Its IUPAC name is 5-(3-aminophenyl)-N-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(3-aminophenyl)-N-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-amine
PubChem CID134392859
Molecular FormulaC15H12N6S
Molecular Weight308.37 g/mol
Exact Mass308.08
IUPAC Name5-(3-aminophenyl)-N-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-amine
SMILESNc1cccc(-c2nnc(Nc3ccc4[nH]ncc4c3)s2)c1
InChIInChI=1S/C15H12N6S/c16-11-3-1-2-9(6-11)14-20-21-15(22-14)18-12-4-5-13-10(7-12)8-17-19-13/h1-8H,16H2,(H,17,19)(H,18,21)
InChIKeyJXBIWWMYEJUYGE-UHFFFAOYSA-N
XLogP3.41
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-(3-aminophenyl)-N-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(3-aminophenyl)-N-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-amine (CID 134392859) is 5-(3-aminophenyl)-N-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(3-aminophenyl)-N-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(3-aminophenyl)-N-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-amine is Nc1cccc(-c2nnc(Nc3ccc4[nH]ncc4c3)s2)c1.
What is the InChIKey of 5-(3-aminophenyl)-N-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-amine?
The InChIKey is JXBIWWMYEJUYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6S/c16-11-3-1-2-9(6-11)14-20-21-15(22-14)18-12-4-5-13-10(7-12)8-17-19-13/h1-8H,16H2,(H,17,19)(H,18,21).
What are the key properties of 5-(3-aminophenyl)-N-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-amine?
5-(3-aminophenyl)-N-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-amine has a molecular weight of 308.37 g/mol, XLogP of 3.41, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminophenyl)-N-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 134392859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).