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

C17H18ClN5O2S2 — CID 11475760

IUPAC6-chloro-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCN(C)CCn1ccc2ccc(NS(=O)(=O)c3c(Cl)nc4sccn34)cc21
InChIInChI=1S/C17H18ClN5O2S2/c1-21(2)7-8-22-6-5-12-3-4-13(11-14(12)22)20-27(24,25)16-15(18)19-17-23(16)9-10-26-17/h3-6,9-11,20H,7-8H2,1-2H3
InChIKeyRQVOSLNGZWVGTI-UHFFFAOYSA-N
MW423.95 g/mol
LogP3.37
Rot. Bonds6

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

6-chloro-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 11475760) has the molecular formula C17H18ClN5O2S2 and a molecular weight of 423.95 g/mol. Its IUPAC name is 6-chloro-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID11475760
Molecular FormulaC17H18ClN5O2S2
Molecular Weight423.95 g/mol
Exact Mass423.06
IUPAC Name6-chloro-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCN(C)CCn1ccc2ccc(NS(=O)(=O)c3c(Cl)nc4sccn34)cc21
InChIInChI=1S/C17H18ClN5O2S2/c1-21(2)7-8-22-6-5-12-3-4-13(11-14(12)22)20-27(24,25)16-15(18)19-17-23(16)9-10-26-17/h3-6,9-11,20H,7-8H2,1-2H3
InChIKeyRQVOSLNGZWVGTI-UHFFFAOYSA-N
XLogP3.37
TPSA71.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.95
LogP ≤ 53.37
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-(dimethylamino)ethyl]indol-6-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of 6-chloro-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 11475760) is 6-chloro-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for 6-chloro-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for 6-chloro-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide is CN(C)CCn1ccc2ccc(NS(=O)(=O)c3c(Cl)nc4sccn34)cc21.
What is the InChIKey of 6-chloro-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is RQVOSLNGZWVGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5O2S2/c1-21(2)7-8-22-6-5-12-3-4-13(11-14(12)22)20-27(24,25)16-15(18)19-17-23(16)9-10-26-17/h3-6,9-11,20H,7-8H2,1-2H3.
What are the key properties of 6-chloro-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
6-chloro-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 423.95 g/mol, XLogP of 3.37, 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-(dimethylamino)ethyl]indol-6-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 11475760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).