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

C19H22ClN5O2S2 — CID 11476494

IUPAC6-chloro-N-[1-[2-(diethylamino)ethyl]indol-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCCN(CC)CCn1ccc2cc(NS(=O)(=O)c3c(Cl)nc4sccn34)ccc21
InChIInChI=1S/C19H22ClN5O2S2/c1-3-23(4-2)9-10-24-8-7-14-13-15(5-6-16(14)24)22-29(26,27)18-17(20)21-19-25(18)11-12-28-19/h5-8,11-13,22H,3-4,9-10H2,1-2H3
InChIKeyPYXYXDOAMGMGFK-UHFFFAOYSA-N
MW452.01 g/mol
LogP4.15
Rot. Bonds8

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

6-chloro-N-[1-[2-(diethylamino)ethyl]indol-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 11476494) has the molecular formula C19H22ClN5O2S2 and a molecular weight of 452.01 g/mol. Its IUPAC name is 6-chloro-N-[1-[2-(diethylamino)ethyl]indol-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-[1-[2-(diethylamino)ethyl]indol-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID11476494
Molecular FormulaC19H22ClN5O2S2
Molecular Weight452.01 g/mol
Exact Mass451.09
IUPAC Name6-chloro-N-[1-[2-(diethylamino)ethyl]indol-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCCN(CC)CCn1ccc2cc(NS(=O)(=O)c3c(Cl)nc4sccn34)ccc21
InChIInChI=1S/C19H22ClN5O2S2/c1-3-23(4-2)9-10-24-8-7-14-13-15(5-6-16(14)24)22-29(26,27)18-17(20)21-19-25(18)11-12-28-19/h5-8,11-13,22H,3-4,9-10H2,1-2H3
InChIKeyPYXYXDOAMGMGFK-UHFFFAOYSA-N
XLogP4.15
TPSA71.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.01
LogP ≤ 54.15
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-(diethylamino)ethyl]indol-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of 6-chloro-N-[1-[2-(diethylamino)ethyl]indol-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 11476494) is 6-chloro-N-[1-[2-(diethylamino)ethyl]indol-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for 6-chloro-N-[1-[2-(diethylamino)ethyl]indol-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for 6-chloro-N-[1-[2-(diethylamino)ethyl]indol-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide is CCN(CC)CCn1ccc2cc(NS(=O)(=O)c3c(Cl)nc4sccn34)ccc21.
What is the InChIKey of 6-chloro-N-[1-[2-(diethylamino)ethyl]indol-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is PYXYXDOAMGMGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN5O2S2/c1-3-23(4-2)9-10-24-8-7-14-13-15(5-6-16(14)24)22-29(26,27)18-17(20)21-19-25(18)11-12-28-19/h5-8,11-13,22H,3-4,9-10H2,1-2H3.
What are the key properties of 6-chloro-N-[1-[2-(diethylamino)ethyl]indol-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
6-chloro-N-[1-[2-(diethylamino)ethyl]indol-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 452.01 g/mol, XLogP of 4.15, 8 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-(diethylamino)ethyl]indol-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 11476494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).