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

C15H10BrN5S — CID 122507479

IUPAC5-(3-bromophenyl)-N-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-amine
SMILESBrc1cccc(-c2nnc(Nc3ccc4[nH]ncc4c3)s2)c1
InChIInChI=1S/C15H10BrN5S/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,(H,17,19)(H,18,21)
InChIKeyAHEPQDARWAMTRK-UHFFFAOYSA-N
MW372.25 g/mol
LogP4.59
Rot. Bonds3

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

5-(3-bromophenyl)-N-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-amine (PubChem CID 122507479) has the molecular formula C15H10BrN5S and a molecular weight of 372.25 g/mol. Its IUPAC name is 5-(3-bromophenyl)-N-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(3-bromophenyl)-N-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-amine
PubChem CID122507479
Molecular FormulaC15H10BrN5S
Molecular Weight372.25 g/mol
Exact Mass370.98
IUPAC Name5-(3-bromophenyl)-N-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-amine
SMILESBrc1cccc(-c2nnc(Nc3ccc4[nH]ncc4c3)s2)c1
InChIInChI=1S/C15H10BrN5S/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,(H,17,19)(H,18,21)
InChIKeyAHEPQDARWAMTRK-UHFFFAOYSA-N
XLogP4.59
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.25
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenyl)-N-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(3-bromophenyl)-N-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-amine (CID 122507479) is 5-(3-bromophenyl)-N-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(3-bromophenyl)-N-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(3-bromophenyl)-N-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-amine is Brc1cccc(-c2nnc(Nc3ccc4[nH]ncc4c3)s2)c1.
What is the InChIKey of 5-(3-bromophenyl)-N-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-amine?
The InChIKey is AHEPQDARWAMTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrN5S/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,(H,17,19)(H,18,21).
What are the key properties of 5-(3-bromophenyl)-N-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-amine?
5-(3-bromophenyl)-N-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-amine has a molecular weight of 372.25 g/mol, XLogP of 4.59, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)-N-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 122507479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).