5-[2-(4-benzylpiperazin-1-yl)indol-1-yl]sulfonyl-6-chloroimidazo[2,1-b][1,3]thiazole

C24H22ClN5O2S2 — CID 154452715

IUPAC5-[2-(4-benzylpiperazin-1-yl)indol-1-yl]sulfonyl-6-chloroimidazo[2,1-b][1,3]thiazole
SMILESO=S(=O)(c1c(Cl)nc2sccn12)n1c(N2CCN(Cc3ccccc3)CC2)cc2ccccc21
InChIInChI=1S/C24H22ClN5O2S2/c25-22-23(29-14-15-33-24(29)26-22)34(31,32)30-20-9-5-4-8-19(20)16-21(30)28-12-10-27(11-13-28)17-18-6-2-1-3-7-18/h1-9,14-16H,10-13,17H2
InChIKeyRQUCIELGASHWRE-UHFFFAOYSA-N
MW512.06 g/mol
LogP4.56
Rot. Bonds5

About 5-[2-(4-benzylpiperazin-1-yl)indol-1-yl]sulfonyl-6-chloroimidazo[2,1-b][1,3]thiazole

5-[2-(4-benzylpiperazin-1-yl)indol-1-yl]sulfonyl-6-chloroimidazo[2,1-b][1,3]thiazole (PubChem CID 154452715) has the molecular formula C24H22ClN5O2S2 and a molecular weight of 512.06 g/mol. Its IUPAC name is 5-[2-(4-benzylpiperazin-1-yl)indol-1-yl]sulfonyl-6-chloroimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name5-[2-(4-benzylpiperazin-1-yl)indol-1-yl]sulfonyl-6-chloroimidazo[2,1-b][1,3]thiazole
PubChem CID154452715
Molecular FormulaC24H22ClN5O2S2
Molecular Weight512.06 g/mol
Exact Mass511.09
IUPAC Name5-[2-(4-benzylpiperazin-1-yl)indol-1-yl]sulfonyl-6-chloroimidazo[2,1-b][1,3]thiazole
SMILESO=S(=O)(c1c(Cl)nc2sccn12)n1c(N2CCN(Cc3ccccc3)CC2)cc2ccccc21
InChIInChI=1S/C24H22ClN5O2S2/c25-22-23(29-14-15-33-24(29)26-22)34(31,32)30-20-9-5-4-8-19(20)16-21(30)28-12-10-27(11-13-28)17-18-6-2-1-3-7-18/h1-9,14-16H,10-13,17H2
InChIKeyRQUCIELGASHWRE-UHFFFAOYSA-N
XLogP4.56
TPSA62.85 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.06
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[2-(4-benzylpiperazin-1-yl)indol-1-yl]sulfonyl-6-chloroimidazo[2,1-b][1,3]thiazole 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 5-[2-(4-benzylpiperazin-1-yl)indol-1-yl]sulfonyl-6-chloroimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 5-[2-(4-benzylpiperazin-1-yl)indol-1-yl]sulfonyl-6-chloroimidazo[2,1-b][1,3]thiazole (CID 154452715) is 5-[2-(4-benzylpiperazin-1-yl)indol-1-yl]sulfonyl-6-chloroimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 5-[2-(4-benzylpiperazin-1-yl)indol-1-yl]sulfonyl-6-chloroimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 5-[2-(4-benzylpiperazin-1-yl)indol-1-yl]sulfonyl-6-chloroimidazo[2,1-b][1,3]thiazole is O=S(=O)(c1c(Cl)nc2sccn12)n1c(N2CCN(Cc3ccccc3)CC2)cc2ccccc21.
What is the InChIKey of 5-[2-(4-benzylpiperazin-1-yl)indol-1-yl]sulfonyl-6-chloroimidazo[2,1-b][1,3]thiazole?
The InChIKey is RQUCIELGASHWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN5O2S2/c25-22-23(29-14-15-33-24(29)26-22)34(31,32)30-20-9-5-4-8-19(20)16-21(30)28-12-10-27(11-13-28)17-18-6-2-1-3-7-18/h1-9,14-16H,10-13,17H2.
What are the key properties of 5-[2-(4-benzylpiperazin-1-yl)indol-1-yl]sulfonyl-6-chloroimidazo[2,1-b][1,3]thiazole?
5-[2-(4-benzylpiperazin-1-yl)indol-1-yl]sulfonyl-6-chloroimidazo[2,1-b][1,3]thiazole has a molecular weight of 512.06 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-benzylpiperazin-1-yl)indol-1-yl]sulfonyl-6-chloroimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 154452715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).