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

C18H19ClN4O2S2 — CID 16718920

IUPAC6-chloro-N-[3-[2-(dimethylamino)ethyl]-1H-inden-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCN(C)CCC1=CCc2ccc(NS(=O)(=O)c3c(Cl)nc4sccn34)cc21
InChIInChI=1S/C18H19ClN4O2S2/c1-22(2)8-7-13-4-3-12-5-6-14(11-15(12)13)21-27(24,25)17-16(19)20-18-23(17)9-10-26-18/h4-6,9-11,21H,3,7-8H2,1-2H3
InChIKeyYSMNKAMHMGKRDL-UHFFFAOYSA-N
MW422.96 g/mol
LogP3.74
Rot. Bonds6

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

6-chloro-N-[3-[2-(dimethylamino)ethyl]-1H-inden-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 16718920) has the molecular formula C18H19ClN4O2S2 and a molecular weight of 422.96 g/mol. Its IUPAC name is 6-chloro-N-[3-[2-(dimethylamino)ethyl]-1H-inden-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-[3-[2-(dimethylamino)ethyl]-1H-inden-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID16718920
Molecular FormulaC18H19ClN4O2S2
Molecular Weight422.96 g/mol
Exact Mass422.06
IUPAC Name6-chloro-N-[3-[2-(dimethylamino)ethyl]-1H-inden-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCN(C)CCC1=CCc2ccc(NS(=O)(=O)c3c(Cl)nc4sccn34)cc21
InChIInChI=1S/C18H19ClN4O2S2/c1-22(2)8-7-13-4-3-12-5-6-14(11-15(12)13)21-27(24,25)17-16(19)20-18-23(17)9-10-26-18/h4-6,9-11,21H,3,7-8H2,1-2H3
InChIKeyYSMNKAMHMGKRDL-UHFFFAOYSA-N
XLogP3.74
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.96
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-chloro-N-[3-[2-(dimethylamino)ethyl]-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-[3-[2-(dimethylamino)ethyl]-1H-inden-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of 6-chloro-N-[3-[2-(dimethylamino)ethyl]-1H-inden-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 16718920) is 6-chloro-N-[3-[2-(dimethylamino)ethyl]-1H-inden-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for 6-chloro-N-[3-[2-(dimethylamino)ethyl]-1H-inden-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for 6-chloro-N-[3-[2-(dimethylamino)ethyl]-1H-inden-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide is CN(C)CCC1=CCc2ccc(NS(=O)(=O)c3c(Cl)nc4sccn34)cc21.
What is the InChIKey of 6-chloro-N-[3-[2-(dimethylamino)ethyl]-1H-inden-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is YSMNKAMHMGKRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O2S2/c1-22(2)8-7-13-4-3-12-5-6-14(11-15(12)13)21-27(24,25)17-16(19)20-18-23(17)9-10-26-18/h4-6,9-11,21H,3,7-8H2,1-2H3.
What are the key properties of 6-chloro-N-[3-[2-(dimethylamino)ethyl]-1H-inden-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
6-chloro-N-[3-[2-(dimethylamino)ethyl]-1H-inden-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 422.96 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[3-[2-(dimethylamino)ethyl]-1H-inden-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 16718920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).