6-chloro-N-[2-methyl-3-(2-pyrrolidin-1-ylethyl)-1H-inden-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide

C21H23ClN4O2S2 — CID 16718822

IUPAC6-chloro-N-[2-methyl-3-(2-pyrrolidin-1-ylethyl)-1H-inden-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCC1=C(CCN2CCCC2)c2cc(NS(=O)(=O)c3c(Cl)nc4sccn34)ccc2C1
InChIInChI=1S/C21H23ClN4O2S2/c1-14-12-15-4-5-16(13-18(15)17(14)6-9-25-7-2-3-8-25)24-30(27,28)20-19(22)23-21-26(20)10-11-29-21/h4-5,10-11,13,24H,2-3,6-9,12H2,1H3
InChIKeyGNXOBMAGBOWJSB-UHFFFAOYSA-N
MW463.03 g/mol
LogP4.67
Rot. Bonds6

About 6-chloro-N-[2-methyl-3-(2-pyrrolidin-1-ylethyl)-1H-inden-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide

6-chloro-N-[2-methyl-3-(2-pyrrolidin-1-ylethyl)-1H-inden-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 16718822) has the molecular formula C21H23ClN4O2S2 and a molecular weight of 463.03 g/mol. Its IUPAC name is 6-chloro-N-[2-methyl-3-(2-pyrrolidin-1-ylethyl)-1H-inden-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-[2-methyl-3-(2-pyrrolidin-1-ylethyl)-1H-inden-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID16718822
Molecular FormulaC21H23ClN4O2S2
Molecular Weight463.03 g/mol
Exact Mass462.10
IUPAC Name6-chloro-N-[2-methyl-3-(2-pyrrolidin-1-ylethyl)-1H-inden-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCC1=C(CCN2CCCC2)c2cc(NS(=O)(=O)c3c(Cl)nc4sccn34)ccc2C1
InChIInChI=1S/C21H23ClN4O2S2/c1-14-12-15-4-5-16(13-18(15)17(14)6-9-25-7-2-3-8-25)24-30(27,28)20-19(22)23-21-26(20)10-11-29-21/h4-5,10-11,13,24H,2-3,6-9,12H2,1H3
InChIKeyGNXOBMAGBOWJSB-UHFFFAOYSA-N
XLogP4.67
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.03
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-chloro-N-[2-methyl-3-(2-pyrrolidin-1-ylethyl)-1H-inden-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide 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 6-chloro-N-[2-methyl-3-(2-pyrrolidin-1-ylethyl)-1H-inden-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of 6-chloro-N-[2-methyl-3-(2-pyrrolidin-1-ylethyl)-1H-inden-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 16718822) is 6-chloro-N-[2-methyl-3-(2-pyrrolidin-1-ylethyl)-1H-inden-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for 6-chloro-N-[2-methyl-3-(2-pyrrolidin-1-ylethyl)-1H-inden-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for 6-chloro-N-[2-methyl-3-(2-pyrrolidin-1-ylethyl)-1H-inden-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide is CC1=C(CCN2CCCC2)c2cc(NS(=O)(=O)c3c(Cl)nc4sccn34)ccc2C1.
What is the InChIKey of 6-chloro-N-[2-methyl-3-(2-pyrrolidin-1-ylethyl)-1H-inden-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is GNXOBMAGBOWJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O2S2/c1-14-12-15-4-5-16(13-18(15)17(14)6-9-25-7-2-3-8-25)24-30(27,28)20-19(22)23-21-26(20)10-11-29-21/h4-5,10-11,13,24H,2-3,6-9,12H2,1H3.
What are the key properties of 6-chloro-N-[2-methyl-3-(2-pyrrolidin-1-ylethyl)-1H-inden-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
6-chloro-N-[2-methyl-3-(2-pyrrolidin-1-ylethyl)-1H-inden-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 463.03 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-methyl-3-(2-pyrrolidin-1-ylethyl)-1H-inden-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 16718822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).