3-methylsulfanyl-1-phenyl-6-piperazin-1-ylindazole

C18H20N4S — CID 56680271

IUPAC3-methylsulfanyl-1-phenyl-6-piperazin-1-ylindazole
SMILESCSc1nn(-c2ccccc2)c2cc(N3CCNCC3)ccc12
InChIInChI=1S/C18H20N4S/c1-23-18-16-8-7-15(21-11-9-19-10-12-21)13-17(16)22(20-18)14-5-3-2-4-6-14/h2-8,13,19H,9-12H2,1H3
InChIKeyFYQZFEWDWQJWRB-UHFFFAOYSA-N
MW324.45 g/mol
LogP3.16
Rot. Bonds3

About 3-methylsulfanyl-1-phenyl-6-piperazin-1-ylindazole

3-methylsulfanyl-1-phenyl-6-piperazin-1-ylindazole (PubChem CID 56680271) has the molecular formula C18H20N4S and a molecular weight of 324.45 g/mol. Its IUPAC name is 3-methylsulfanyl-1-phenyl-6-piperazin-1-ylindazole.

Molecular Properties

Compound Name3-methylsulfanyl-1-phenyl-6-piperazin-1-ylindazole
PubChem CID56680271
Molecular FormulaC18H20N4S
Molecular Weight324.45 g/mol
Exact Mass324.14
IUPAC Name3-methylsulfanyl-1-phenyl-6-piperazin-1-ylindazole
SMILESCSc1nn(-c2ccccc2)c2cc(N3CCNCC3)ccc12
InChIInChI=1S/C18H20N4S/c1-23-18-16-8-7-15(21-11-9-19-10-12-21)13-17(16)22(20-18)14-5-3-2-4-6-14/h2-8,13,19H,9-12H2,1H3
InChIKeyFYQZFEWDWQJWRB-UHFFFAOYSA-N
XLogP3.16
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-methylsulfanyl-1-phenyl-6-piperazin-1-ylindazole 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-methylsulfanyl-1-phenyl-6-piperazin-1-ylindazole?
The IUPAC name of 3-methylsulfanyl-1-phenyl-6-piperazin-1-ylindazole (CID 56680271) is 3-methylsulfanyl-1-phenyl-6-piperazin-1-ylindazole.
What is the SMILES notation for 3-methylsulfanyl-1-phenyl-6-piperazin-1-ylindazole?
The canonical SMILES for 3-methylsulfanyl-1-phenyl-6-piperazin-1-ylindazole is CSc1nn(-c2ccccc2)c2cc(N3CCNCC3)ccc12.
What is the InChIKey of 3-methylsulfanyl-1-phenyl-6-piperazin-1-ylindazole?
The InChIKey is FYQZFEWDWQJWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4S/c1-23-18-16-8-7-15(21-11-9-19-10-12-21)13-17(16)22(20-18)14-5-3-2-4-6-14/h2-8,13,19H,9-12H2,1H3.
What are the key properties of 3-methylsulfanyl-1-phenyl-6-piperazin-1-ylindazole?
3-methylsulfanyl-1-phenyl-6-piperazin-1-ylindazole has a molecular weight of 324.45 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-1-phenyl-6-piperazin-1-ylindazole is sourced from PubChem (CID 56680271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).