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

C19H19ClN4O2S2 — CID 16718922

IUPAC6-chloro-N-[3-(1-methylpyrrolidin-3-yl)-1H-inden-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCN1CCC(C2=CCc3ccc(NS(=O)(=O)c4c(Cl)nc5sccn45)cc32)C1
InChIInChI=1S/C19H19ClN4O2S2/c1-23-7-6-13(11-23)15-5-3-12-2-4-14(10-16(12)15)22-28(25,26)18-17(20)21-19-24(18)8-9-27-19/h2,4-5,8-10,13,22H,3,6-7,11H2,1H3
InChIKeyWWOYOTWDYWUFHF-UHFFFAOYSA-N
MW434.97 g/mol
LogP3.74
Rot. Bonds4

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

6-chloro-N-[3-(1-methylpyrrolidin-3-yl)-1H-inden-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 16718922) has the molecular formula C19H19ClN4O2S2 and a molecular weight of 434.97 g/mol. Its IUPAC name is 6-chloro-N-[3-(1-methylpyrrolidin-3-yl)-1H-inden-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-[3-(1-methylpyrrolidin-3-yl)-1H-inden-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID16718922
Molecular FormulaC19H19ClN4O2S2
Molecular Weight434.97 g/mol
Exact Mass434.06
IUPAC Name6-chloro-N-[3-(1-methylpyrrolidin-3-yl)-1H-inden-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCN1CCC(C2=CCc3ccc(NS(=O)(=O)c4c(Cl)nc5sccn45)cc32)C1
InChIInChI=1S/C19H19ClN4O2S2/c1-23-7-6-13(11-23)15-5-3-12-2-4-14(10-16(12)15)22-28(25,26)18-17(20)21-19-24(18)8-9-27-19/h2,4-5,8-10,13,22H,3,6-7,11H2,1H3
InChIKeyWWOYOTWDYWUFHF-UHFFFAOYSA-N
XLogP3.74
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.97
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[3-(1-methylpyrrolidin-3-yl)-1H-inden-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of 6-chloro-N-[3-(1-methylpyrrolidin-3-yl)-1H-inden-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 16718922) is 6-chloro-N-[3-(1-methylpyrrolidin-3-yl)-1H-inden-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for 6-chloro-N-[3-(1-methylpyrrolidin-3-yl)-1H-inden-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for 6-chloro-N-[3-(1-methylpyrrolidin-3-yl)-1H-inden-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide is CN1CCC(C2=CCc3ccc(NS(=O)(=O)c4c(Cl)nc5sccn45)cc32)C1.
What is the InChIKey of 6-chloro-N-[3-(1-methylpyrrolidin-3-yl)-1H-inden-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is WWOYOTWDYWUFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O2S2/c1-23-7-6-13(11-23)15-5-3-12-2-4-14(10-16(12)15)22-28(25,26)18-17(20)21-19-24(18)8-9-27-19/h2,4-5,8-10,13,22H,3,6-7,11H2,1H3.
What are the key properties of 6-chloro-N-[3-(1-methylpyrrolidin-3-yl)-1H-inden-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
6-chloro-N-[3-(1-methylpyrrolidin-3-yl)-1H-inden-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 434.97 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[3-(1-methylpyrrolidin-3-yl)-1H-inden-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 16718922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).