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

C20H22ClN5O2S2 — CID 11271219

IUPAC6-chloro-N-[1-(2-piperidin-1-ylethyl)indol-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESO=S(=O)(Nc1ccc2c(ccn2CCN2CCCCC2)c1)c1c(Cl)nc2sccn12
InChIInChI=1S/C20H22ClN5O2S2/c21-18-19(26-12-13-29-20(26)22-18)30(27,28)23-16-4-5-17-15(14-16)6-9-25(17)11-10-24-7-2-1-3-8-24/h4-6,9,12-14,23H,1-3,7-8,10-11H2
InChIKeyVRGJFPLLFDBSMA-UHFFFAOYSA-N
MW464.02 g/mol
LogP4.29
Rot. Bonds6

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

6-chloro-N-[1-(2-piperidin-1-ylethyl)indol-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 11271219) has the molecular formula C20H22ClN5O2S2 and a molecular weight of 464.02 g/mol. Its IUPAC name is 6-chloro-N-[1-(2-piperidin-1-ylethyl)indol-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-[1-(2-piperidin-1-ylethyl)indol-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID11271219
Molecular FormulaC20H22ClN5O2S2
Molecular Weight464.02 g/mol
Exact Mass463.09
IUPAC Name6-chloro-N-[1-(2-piperidin-1-ylethyl)indol-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESO=S(=O)(Nc1ccc2c(ccn2CCN2CCCCC2)c1)c1c(Cl)nc2sccn12
InChIInChI=1S/C20H22ClN5O2S2/c21-18-19(26-12-13-29-20(26)22-18)30(27,28)23-16-4-5-17-15(14-16)6-9-25(17)11-10-24-7-2-1-3-8-24/h4-6,9,12-14,23H,1-3,7-8,10-11H2
InChIKeyVRGJFPLLFDBSMA-UHFFFAOYSA-N
XLogP4.29
TPSA71.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.02
LogP ≤ 54.29
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-(2-piperidin-1-ylethyl)indol-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of 6-chloro-N-[1-(2-piperidin-1-ylethyl)indol-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 11271219) is 6-chloro-N-[1-(2-piperidin-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-piperidin-1-ylethyl)indol-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for 6-chloro-N-[1-(2-piperidin-1-ylethyl)indol-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide is O=S(=O)(Nc1ccc2c(ccn2CCN2CCCCC2)c1)c1c(Cl)nc2sccn12.
What is the InChIKey of 6-chloro-N-[1-(2-piperidin-1-ylethyl)indol-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is VRGJFPLLFDBSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN5O2S2/c21-18-19(26-12-13-29-20(26)22-18)30(27,28)23-16-4-5-17-15(14-16)6-9-25(17)11-10-24-7-2-1-3-8-24/h4-6,9,12-14,23H,1-3,7-8,10-11H2.
What are the key properties of 6-chloro-N-[1-(2-piperidin-1-ylethyl)indol-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
6-chloro-N-[1-(2-piperidin-1-ylethyl)indol-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 464.02 g/mol, XLogP of 4.29, 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-piperidin-1-ylethyl)indol-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 11271219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).