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

C21H24ClN5O2S2 — CID 11408954

IUPAC6-chloro-N-[1-(3-piperidin-1-ylpropyl)indol-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESO=S(=O)(Nc1ccc2c(ccn2CCCN2CCCCC2)c1)c1c(Cl)nc2sccn12
InChIInChI=1S/C21H24ClN5O2S2/c22-19-20(27-13-14-30-21(27)23-19)31(28,29)24-17-5-6-18-16(15-17)7-12-26(18)11-4-10-25-8-2-1-3-9-25/h5-7,12-15,24H,1-4,8-11H2
InChIKeyFGBNGCFMRUCMAW-UHFFFAOYSA-N
MW478.04 g/mol
LogP4.68
Rot. Bonds7

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

6-chloro-N-[1-(3-piperidin-1-ylpropyl)indol-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 11408954) has the molecular formula C21H24ClN5O2S2 and a molecular weight of 478.04 g/mol. Its IUPAC name is 6-chloro-N-[1-(3-piperidin-1-ylpropyl)indol-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-[1-(3-piperidin-1-ylpropyl)indol-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID11408954
Molecular FormulaC21H24ClN5O2S2
Molecular Weight478.04 g/mol
Exact Mass477.11
IUPAC Name6-chloro-N-[1-(3-piperidin-1-ylpropyl)indol-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESO=S(=O)(Nc1ccc2c(ccn2CCCN2CCCCC2)c1)c1c(Cl)nc2sccn12
InChIInChI=1S/C21H24ClN5O2S2/c22-19-20(27-13-14-30-21(27)23-19)31(28,29)24-17-5-6-18-16(15-17)7-12-26(18)11-4-10-25-8-2-1-3-9-25/h5-7,12-15,24H,1-4,8-11H2
InChIKeyFGBNGCFMRUCMAW-UHFFFAOYSA-N
XLogP4.68
TPSA71.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.04
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-(3-piperidin-1-ylpropyl)indol-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of 6-chloro-N-[1-(3-piperidin-1-ylpropyl)indol-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 11408954) is 6-chloro-N-[1-(3-piperidin-1-ylpropyl)indol-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for 6-chloro-N-[1-(3-piperidin-1-ylpropyl)indol-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for 6-chloro-N-[1-(3-piperidin-1-ylpropyl)indol-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide is O=S(=O)(Nc1ccc2c(ccn2CCCN2CCCCC2)c1)c1c(Cl)nc2sccn12.
What is the InChIKey of 6-chloro-N-[1-(3-piperidin-1-ylpropyl)indol-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is FGBNGCFMRUCMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN5O2S2/c22-19-20(27-13-14-30-21(27)23-19)31(28,29)24-17-5-6-18-16(15-17)7-12-26(18)11-4-10-25-8-2-1-3-9-25/h5-7,12-15,24H,1-4,8-11H2.
What are the key properties of 6-chloro-N-[1-(3-piperidin-1-ylpropyl)indol-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
6-chloro-N-[1-(3-piperidin-1-ylpropyl)indol-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 478.04 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[1-(3-piperidin-1-ylpropyl)indol-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 11408954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).