3-(1H-indazol-5-yl)-1,2,4-thiadiazole

C9H6N4S — CID 67417996

IUPAC3-(1H-indazol-5-yl)-1,2,4-thiadiazole
SMILESc1nc(-c2ccc3[nH]ncc3c2)ns1
InChIInChI=1S/C9H6N4S/c1-2-8-7(4-11-12-8)3-6(1)9-10-5-14-13-9/h1-5H,(H,11,12)
InChIKeyDOJGPSQQMWYSIE-UHFFFAOYSA-N
MW202.24 g/mol
LogP2.08
Rot. Bonds1

About 3-(1H-indazol-5-yl)-1,2,4-thiadiazole

3-(1H-indazol-5-yl)-1,2,4-thiadiazole (PubChem CID 67417996) has the molecular formula C9H6N4S and a molecular weight of 202.24 g/mol. Its IUPAC name is 3-(1H-indazol-5-yl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-(1H-indazol-5-yl)-1,2,4-thiadiazole
PubChem CID67417996
Molecular FormulaC9H6N4S
Molecular Weight202.24 g/mol
Exact Mass202.03
IUPAC Name3-(1H-indazol-5-yl)-1,2,4-thiadiazole
SMILESc1nc(-c2ccc3[nH]ncc3c2)ns1
InChIInChI=1S/C9H6N4S/c1-2-8-7(4-11-12-8)3-6(1)9-10-5-14-13-9/h1-5H,(H,11,12)
InChIKeyDOJGPSQQMWYSIE-UHFFFAOYSA-N
XLogP2.08
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.24
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(1H-indazol-5-yl)-1,2,4-thiadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indazol-5-yl)-1,2,4-thiadiazole?
The IUPAC name of 3-(1H-indazol-5-yl)-1,2,4-thiadiazole (CID 67417996) is 3-(1H-indazol-5-yl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-(1H-indazol-5-yl)-1,2,4-thiadiazole?
The canonical SMILES for 3-(1H-indazol-5-yl)-1,2,4-thiadiazole is c1nc(-c2ccc3[nH]ncc3c2)ns1.
What is the InChIKey of 3-(1H-indazol-5-yl)-1,2,4-thiadiazole?
The InChIKey is DOJGPSQQMWYSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N4S/c1-2-8-7(4-11-12-8)3-6(1)9-10-5-14-13-9/h1-5H,(H,11,12).
What are the key properties of 3-(1H-indazol-5-yl)-1,2,4-thiadiazole?
3-(1H-indazol-5-yl)-1,2,4-thiadiazole has a molecular weight of 202.24 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indazol-5-yl)-1,2,4-thiadiazole is sourced from PubChem (CID 67417996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).