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

C19H20ClN5O2S2 — CID 11236269

IUPAC6-chloro-N-[1-(2-pyrrolidin-1-ylethyl)indol-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESO=S(=O)(Nc1ccc2c(ccn2CCN2CCCC2)c1)c1c(Cl)nc2sccn12
InChIInChI=1S/C19H20ClN5O2S2/c20-17-18(25-11-12-28-19(25)21-17)29(26,27)22-15-3-4-16-14(13-15)5-8-24(16)10-9-23-6-1-2-7-23/h3-5,8,11-13,22H,1-2,6-7,9-10H2
InChIKeyQOOWDQCUBAWIJN-UHFFFAOYSA-N
MW449.99 g/mol
LogP3.90
Rot. Bonds6

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

6-chloro-N-[1-(2-pyrrolidin-1-ylethyl)indol-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 11236269) has the molecular formula C19H20ClN5O2S2 and a molecular weight of 449.99 g/mol. Its IUPAC name is 6-chloro-N-[1-(2-pyrrolidin-1-ylethyl)indol-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-[1-(2-pyrrolidin-1-ylethyl)indol-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID11236269
Molecular FormulaC19H20ClN5O2S2
Molecular Weight449.99 g/mol
Exact Mass449.07
IUPAC Name6-chloro-N-[1-(2-pyrrolidin-1-ylethyl)indol-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESO=S(=O)(Nc1ccc2c(ccn2CCN2CCCC2)c1)c1c(Cl)nc2sccn12
InChIInChI=1S/C19H20ClN5O2S2/c20-17-18(25-11-12-28-19(25)21-17)29(26,27)22-15-3-4-16-14(13-15)5-8-24(16)10-9-23-6-1-2-7-23/h3-5,8,11-13,22H,1-2,6-7,9-10H2
InChIKeyQOOWDQCUBAWIJN-UHFFFAOYSA-N
XLogP3.90
TPSA71.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.99
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-((6-Chloroimidazo(2,1-b)thiazol-5-yl)sulfonyl)-1H-indole-3-ethanamine
CID 10150497
6-Chloro-N-(3-(2-(dimethylamino)ethyl)-1H-indol-5-yl)imidazo(2,1-b)thiazole-5-sulfonamide
CID 10202564
Indenylsulfonamide, 28
CID 16718922
6-Chloro-5-(1-pyrrolidin-3-ylpyrrolo[2,3-b]pyridin-3-yl)sulfonylimidazo[2,1-b][1,3]thiazole
CID 52946845
6-Chloro-5-[1-(1-methylpyrrolidin-3-yl)pyrrolo[2,3-b]pyridin-3-yl]sulfonylimidazo[2,1-b][1,3]thiazole
CID 52946846
6-Chloro-imidazo[2,1-b]thiazole-5-sulfonic acid [1-(2-dimethylamino-ethyl)-1H-indol-5-yl]-amide
CID 11154465
6-Chloro-imidazo[2,1-b]thiazole-5-sulfonic acid [1-(2-pyrrolidin-1-yl-ethyl)-1H-indol-6-yl]-amide
CID 11190151
6-chloro-N-(1-(2-(dimethylamino)ethyl)-2-methyl-1H-indol-5-yl)imidazo[2,1-b]thiazole-5-sulfonamide
CID 11259180
6-Chloro-imidazo[2,1-b]thiazole-5-sulfonic acid [1-(3-piperidin-1-yl-propyl)-1H-indol-5-yl]-amide
CID 11408954
6-Chloro-imidazo[2,1-b]thiazole-5-sulfonic acid [1-(2-dimethylamino-ethyl)-1H-indol-6-yl]-amide
CID 11475760
6-chloro-N-[1-[2-(diethylamino)ethyl]indol-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 11476494
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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-(2-pyrrolidin-1-ylethyl)indol-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of 6-chloro-N-[1-(2-pyrrolidin-1-ylethyl)indol-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 11236269) is 6-chloro-N-[1-(2-pyrrolidin-1-ylethyl)indol-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for 6-chloro-N-[1-(2-pyrrolidin-1-ylethyl)indol-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for 6-chloro-N-[1-(2-pyrrolidin-1-ylethyl)indol-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide is O=S(=O)(Nc1ccc2c(ccn2CCN2CCCC2)c1)c1c(Cl)nc2sccn12.
What is the InChIKey of 6-chloro-N-[1-(2-pyrrolidin-1-ylethyl)indol-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is QOOWDQCUBAWIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O2S2/c20-17-18(25-11-12-28-19(25)21-17)29(26,27)22-15-3-4-16-14(13-15)5-8-24(16)10-9-23-6-1-2-7-23/h3-5,8,11-13,22H,1-2,6-7,9-10H2.
What are the key properties of 6-chloro-N-[1-(2-pyrrolidin-1-ylethyl)indol-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
6-chloro-N-[1-(2-pyrrolidin-1-ylethyl)indol-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 449.99 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[1-(2-pyrrolidin-1-ylethyl)indol-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 11236269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).