6-(methylamino)-N-pentylimidazo[2,1-b][1,3]thiazole-5-sulfonamide

C11H18N4O2S2 — CID 62162817

IUPAC6-(methylamino)-N-pentylimidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCCCCCNS(=O)(=O)c1c(NC)nc2sccn12
InChIInChI=1S/C11H18N4O2S2/c1-3-4-5-6-13-19(16,17)10-9(12-2)14-11-15(10)7-8-18-11/h7-8,12-13H,3-6H2,1-2H3
InChIKeyDCGDJDAOGQTSAI-UHFFFAOYSA-N
MW302.43 g/mol
LogP1.91
Rot. Bonds7

About 6-(methylamino)-N-pentylimidazo[2,1-b][1,3]thiazole-5-sulfonamide

6-(methylamino)-N-pentylimidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 62162817) has the molecular formula C11H18N4O2S2 and a molecular weight of 302.43 g/mol. Its IUPAC name is 6-(methylamino)-N-pentylimidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound Name6-(methylamino)-N-pentylimidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID62162817
Molecular FormulaC11H18N4O2S2
Molecular Weight302.43 g/mol
Exact Mass302.09
IUPAC Name6-(methylamino)-N-pentylimidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCCCCCNS(=O)(=O)c1c(NC)nc2sccn12
InChIInChI=1S/C11H18N4O2S2/c1-3-4-5-6-13-19(16,17)10-9(12-2)14-11-15(10)7-8-18-11/h7-8,12-13H,3-6H2,1-2H3
InChIKeyDCGDJDAOGQTSAI-UHFFFAOYSA-N
XLogP1.91
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.43
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(methylamino)-N-pentylimidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of 6-(methylamino)-N-pentylimidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 62162817) is 6-(methylamino)-N-pentylimidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for 6-(methylamino)-N-pentylimidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for 6-(methylamino)-N-pentylimidazo[2,1-b][1,3]thiazole-5-sulfonamide is CCCCCNS(=O)(=O)c1c(NC)nc2sccn12.
What is the InChIKey of 6-(methylamino)-N-pentylimidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is DCGDJDAOGQTSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S2/c1-3-4-5-6-13-19(16,17)10-9(12-2)14-11-15(10)7-8-18-11/h7-8,12-13H,3-6H2,1-2H3.
What are the key properties of 6-(methylamino)-N-pentylimidazo[2,1-b][1,3]thiazole-5-sulfonamide?
6-(methylamino)-N-pentylimidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 302.43 g/mol, XLogP of 1.91, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methylamino)-N-pentylimidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 62162817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).