6-chloro-N-[3-(2-methoxyethoxy)propyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide

C11H16ClN3O4S2 — CID 61247733

IUPAC6-chloro-N-[3-(2-methoxyethoxy)propyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCOCCOCCCNS(=O)(=O)c1c(Cl)nc2sccn12
InChIInChI=1S/C11H16ClN3O4S2/c1-18-6-7-19-5-2-3-13-21(16,17)10-9(12)14-11-15(10)4-8-20-11/h4,8,13H,2-3,5-7H2,1H3
InChIKeyHIJUMWDJGSBFSB-UHFFFAOYSA-N
MW353.85 g/mol
LogP1.38
Rot. Bonds9

About 6-chloro-N-[3-(2-methoxyethoxy)propyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide

6-chloro-N-[3-(2-methoxyethoxy)propyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 61247733) has the molecular formula C11H16ClN3O4S2 and a molecular weight of 353.85 g/mol. Its IUPAC name is 6-chloro-N-[3-(2-methoxyethoxy)propyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-[3-(2-methoxyethoxy)propyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID61247733
Molecular FormulaC11H16ClN3O4S2
Molecular Weight353.85 g/mol
Exact Mass353.03
IUPAC Name6-chloro-N-[3-(2-methoxyethoxy)propyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCOCCOCCCNS(=O)(=O)c1c(Cl)nc2sccn12
InChIInChI=1S/C11H16ClN3O4S2/c1-18-6-7-19-5-2-3-13-21(16,17)10-9(12)14-11-15(10)4-8-20-11/h4,8,13H,2-3,5-7H2,1H3
InChIKeyHIJUMWDJGSBFSB-UHFFFAOYSA-N
XLogP1.38
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-(2-methoxyethoxy)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 114009664
6-chloro-N-[3-(dimethylamino)propyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 60812798
N-(3-methoxypropyl)-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 55044056
ethyl 2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]acetate
CID 54921109
6-chloro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 63239264
6-chloro-N-(2-ethoxypropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 115650694
6-chloro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 64531115
2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]-N-propan-2-ylacetamide
CID 60814143
6-chloro-N-(2-methyl-3-methylsulfanylpropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 63964111
6-chloro-N-(2-hydroxy-2-methylbutyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 65107340
6-chloro-N-(2-methoxyethyl)-N-propan-2-ylimidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 82948195
6-chloro-N-(1-ethoxy-3-methylbutan-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 103270391

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[3-(2-methoxyethoxy)propyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of 6-chloro-N-[3-(2-methoxyethoxy)propyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 61247733) is 6-chloro-N-[3-(2-methoxyethoxy)propyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for 6-chloro-N-[3-(2-methoxyethoxy)propyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for 6-chloro-N-[3-(2-methoxyethoxy)propyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide is COCCOCCCNS(=O)(=O)c1c(Cl)nc2sccn12.
What is the InChIKey of 6-chloro-N-[3-(2-methoxyethoxy)propyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is HIJUMWDJGSBFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O4S2/c1-18-6-7-19-5-2-3-13-21(16,17)10-9(12)14-11-15(10)4-8-20-11/h4,8,13H,2-3,5-7H2,1H3.
What are the key properties of 6-chloro-N-[3-(2-methoxyethoxy)propyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
6-chloro-N-[3-(2-methoxyethoxy)propyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 353.85 g/mol, XLogP of 1.38, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[3-(2-methoxyethoxy)propyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 61247733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).