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

C19H20ClN5O2S2 — CID 11190151

IUPAC6-chloro-N-[1-(2-pyrrolidin-1-ylethyl)indol-6-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESO=S(=O)(Nc1ccc2ccn(CCN3CCCC3)c2c1)c1c(Cl)nc2sccn12
InChIInChI=1S/C19H20ClN5O2S2/c20-17-18(25-11-12-28-19(25)21-17)29(26,27)22-15-4-3-14-5-8-24(16(14)13-15)10-9-23-6-1-2-7-23/h3-5,8,11-13,22H,1-2,6-7,9-10H2
InChIKeyKHSVTQPJGFBVJP-UHFFFAOYSA-N
MW449.99 g/mol
LogP3.90
Rot. Bonds6

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

6-chloro-N-[1-(2-pyrrolidin-1-ylethyl)indol-6-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 11190151) 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-6-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-[1-(2-pyrrolidin-1-ylethyl)indol-6-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID11190151
Molecular FormulaC19H20ClN5O2S2
Molecular Weight449.99 g/mol
Exact Mass449.07
IUPAC Name6-chloro-N-[1-(2-pyrrolidin-1-ylethyl)indol-6-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESO=S(=O)(Nc1ccc2ccn(CCN3CCCC3)c2c1)c1c(Cl)nc2sccn12
InChIInChI=1S/C19H20ClN5O2S2/c20-17-18(25-11-12-28-19(25)21-17)29(26,27)22-15-4-3-14-5-8-24(16(14)13-15)10-9-23-6-1-2-7-23/h3-5,8,11-13,22H,1-2,6-7,9-10H2
InChIKeyKHSVTQPJGFBVJP-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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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-(2-pyrrolidin-1-ylethyl)indol-6-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of 6-chloro-N-[1-(2-pyrrolidin-1-ylethyl)indol-6-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 11190151) is 6-chloro-N-[1-(2-pyrrolidin-1-ylethyl)indol-6-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-6-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for 6-chloro-N-[1-(2-pyrrolidin-1-ylethyl)indol-6-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide is O=S(=O)(Nc1ccc2ccn(CCN3CCCC3)c2c1)c1c(Cl)nc2sccn12.
What is the InChIKey of 6-chloro-N-[1-(2-pyrrolidin-1-ylethyl)indol-6-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is KHSVTQPJGFBVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O2S2/c20-17-18(25-11-12-28-19(25)21-17)29(26,27)22-15-4-3-14-5-8-24(16(14)13-15)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-6-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
6-chloro-N-[1-(2-pyrrolidin-1-ylethyl)indol-6-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-6-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 11190151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).