5-[2-[2-(tetrazol-1-yl)phenyl]-1,3-thiazol-5-yl]-1H-indazol-3-amine

C17H12N8S — CID 155563465

IUPAC5-[2-[2-(tetrazol-1-yl)phenyl]-1,3-thiazol-5-yl]-1H-indazol-3-amine
SMILESNc1n[nH]c2ccc(-c3cnc(-c4ccccc4-n4cnnn4)s3)cc12
InChIInChI=1S/C17H12N8S/c18-16-12-7-10(5-6-13(12)21-22-16)15-8-19-17(26-15)11-3-1-2-4-14(11)25-9-20-23-24-25/h1-9H,(H3,18,21,22)
InChIKeyODIGOIQVBMQZDI-UHFFFAOYSA-N
MW360.41 g/mol
LogP2.91
Rot. Bonds3

About 5-[2-[2-(tetrazol-1-yl)phenyl]-1,3-thiazol-5-yl]-1H-indazol-3-amine

5-[2-[2-(tetrazol-1-yl)phenyl]-1,3-thiazol-5-yl]-1H-indazol-3-amine (PubChem CID 155563465) has the molecular formula C17H12N8S and a molecular weight of 360.41 g/mol. Its IUPAC name is 5-[2-[2-(tetrazol-1-yl)phenyl]-1,3-thiazol-5-yl]-1H-indazol-3-amine.

Molecular Properties

Compound Name5-[2-[2-(tetrazol-1-yl)phenyl]-1,3-thiazol-5-yl]-1H-indazol-3-amine
PubChem CID155563465
Molecular FormulaC17H12N8S
Molecular Weight360.41 g/mol
Exact Mass360.09
IUPAC Name5-[2-[2-(tetrazol-1-yl)phenyl]-1,3-thiazol-5-yl]-1H-indazol-3-amine
SMILESNc1n[nH]c2ccc(-c3cnc(-c4ccccc4-n4cnnn4)s3)cc12
InChIInChI=1S/C17H12N8S/c18-16-12-7-10(5-6-13(12)21-22-16)15-8-19-17(26-15)11-3-1-2-4-14(11)25-9-20-23-24-25/h1-9H,(H3,18,21,22)
InChIKeyODIGOIQVBMQZDI-UHFFFAOYSA-N
XLogP2.91
TPSA111.19 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(tetrazol-1-yl)phenyl]-1,3-thiazol-5-yl]-1H-indazol-3-amine?
The IUPAC name of 5-[2-[2-(tetrazol-1-yl)phenyl]-1,3-thiazol-5-yl]-1H-indazol-3-amine (CID 155563465) is 5-[2-[2-(tetrazol-1-yl)phenyl]-1,3-thiazol-5-yl]-1H-indazol-3-amine.
What is the SMILES notation for 5-[2-[2-(tetrazol-1-yl)phenyl]-1,3-thiazol-5-yl]-1H-indazol-3-amine?
The canonical SMILES for 5-[2-[2-(tetrazol-1-yl)phenyl]-1,3-thiazol-5-yl]-1H-indazol-3-amine is Nc1n[nH]c2ccc(-c3cnc(-c4ccccc4-n4cnnn4)s3)cc12.
What is the InChIKey of 5-[2-[2-(tetrazol-1-yl)phenyl]-1,3-thiazol-5-yl]-1H-indazol-3-amine?
The InChIKey is ODIGOIQVBMQZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N8S/c18-16-12-7-10(5-6-13(12)21-22-16)15-8-19-17(26-15)11-3-1-2-4-14(11)25-9-20-23-24-25/h1-9H,(H3,18,21,22).
What are the key properties of 5-[2-[2-(tetrazol-1-yl)phenyl]-1,3-thiazol-5-yl]-1H-indazol-3-amine?
5-[2-[2-(tetrazol-1-yl)phenyl]-1,3-thiazol-5-yl]-1H-indazol-3-amine has a molecular weight of 360.41 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(tetrazol-1-yl)phenyl]-1,3-thiazol-5-yl]-1H-indazol-3-amine is sourced from PubChem (CID 155563465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).