6-chloro-N-[1-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-inden-4-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide

C19H22ClN5O2S2 — CID 24794433

IUPAC6-chloro-N-[1-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-inden-4-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCN1CCN(C2CCc3c(NS(=O)(=O)c4c(Cl)nc5sccn45)cccc32)CC1
InChIInChI=1S/C19H22ClN5O2S2/c1-23-7-9-24(10-8-23)16-6-5-13-14(16)3-2-4-15(13)22-29(26,27)18-17(20)21-19-25(18)11-12-28-19/h2-4,11-12,16,22H,5-10H2,1H3
InChIKeyKDVONGOXRKZDPA-UHFFFAOYSA-N
MW452.01 g/mol
LogP3.08
Rot. Bonds4

About 6-chloro-N-[1-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-inden-4-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide

6-chloro-N-[1-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-inden-4-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 24794433) has the molecular formula C19H22ClN5O2S2 and a molecular weight of 452.01 g/mol. Its IUPAC name is 6-chloro-N-[1-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-inden-4-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-[1-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-inden-4-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID24794433
Molecular FormulaC19H22ClN5O2S2
Molecular Weight452.01 g/mol
Exact Mass451.09
IUPAC Name6-chloro-N-[1-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-inden-4-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCN1CCN(C2CCc3c(NS(=O)(=O)c4c(Cl)nc5sccn45)cccc32)CC1
InChIInChI=1S/C19H22ClN5O2S2/c1-23-7-9-24(10-8-23)16-6-5-13-14(16)3-2-4-15(13)22-29(26,27)18-17(20)21-19-25(18)11-12-28-19/h2-4,11-12,16,22H,5-10H2,1H3
InChIKeyKDVONGOXRKZDPA-UHFFFAOYSA-N
XLogP3.08
TPSA69.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.01
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-inden-4-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of 6-chloro-N-[1-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-inden-4-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 24794433) is 6-chloro-N-[1-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-inden-4-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for 6-chloro-N-[1-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-inden-4-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for 6-chloro-N-[1-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-inden-4-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide is CN1CCN(C2CCc3c(NS(=O)(=O)c4c(Cl)nc5sccn45)cccc32)CC1.
What is the InChIKey of 6-chloro-N-[1-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-inden-4-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is KDVONGOXRKZDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN5O2S2/c1-23-7-9-24(10-8-23)16-6-5-13-14(16)3-2-4-15(13)22-29(26,27)18-17(20)21-19-25(18)11-12-28-19/h2-4,11-12,16,22H,5-10H2,1H3.
What are the key properties of 6-chloro-N-[1-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-inden-4-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
6-chloro-N-[1-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-inden-4-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 452.01 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[1-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-inden-4-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 24794433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).