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

C17H18ClN5O2S2 — CID 10202564

IUPAC6-chloro-N-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCN(C)CCc1c[nH]c2ccc(NS(=O)(=O)c3c(Cl)nc4sccn34)cc12
InChIInChI=1S/C17H18ClN5O2S2/c1-22(2)6-5-11-10-19-14-4-3-12(9-13(11)14)21-27(24,25)16-15(18)20-17-23(16)7-8-26-17/h3-4,7-10,19,21H,5-6H2,1-2H3
InChIKeyRZAXUKVIIWUIOM-UHFFFAOYSA-N
MW423.95 g/mol
LogP3.44
Rot. Bonds6

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

6-chloro-N-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 10202564) has the molecular formula C17H18ClN5O2S2 and a molecular weight of 423.95 g/mol. Its IUPAC name is 6-chloro-N-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID10202564
Molecular FormulaC17H18ClN5O2S2
Molecular Weight423.95 g/mol
Exact Mass423.06
IUPAC Name6-chloro-N-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCN(C)CCc1c[nH]c2ccc(NS(=O)(=O)c3c(Cl)nc4sccn34)cc12
InChIInChI=1S/C17H18ClN5O2S2/c1-22(2)6-5-11-10-19-14-4-3-12(9-13(11)14)21-27(24,25)16-15(18)20-17-23(16)7-8-26-17/h3-4,7-10,19,21H,5-6H2,1-2H3
InChIKeyRZAXUKVIIWUIOM-UHFFFAOYSA-N
XLogP3.44
TPSA82.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.95
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of 6-chloro-N-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 10202564) is 6-chloro-N-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for 6-chloro-N-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for 6-chloro-N-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide is CN(C)CCc1c[nH]c2ccc(NS(=O)(=O)c3c(Cl)nc4sccn34)cc12.
What is the InChIKey of 6-chloro-N-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is RZAXUKVIIWUIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5O2S2/c1-22(2)6-5-11-10-19-14-4-3-12(9-13(11)14)21-27(24,25)16-15(18)20-17-23(16)7-8-26-17/h3-4,7-10,19,21H,5-6H2,1-2H3.
What are the key properties of 6-chloro-N-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
6-chloro-N-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 423.95 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 10202564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).