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

C11H16N4O2S3 — CID 80586000

IUPAC6-(methylamino)-N-(thiolan-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCNc1nc2sccn2c1S(=O)(=O)NCC1CCCS1
InChIInChI=1S/C11H16N4O2S3/c1-12-9-10(15-4-6-19-11(15)14-9)20(16,17)13-7-8-3-2-5-18-8/h4,6,8,12-13H,2-3,5,7H2,1H3
InChIKeyUMQXEXUADWFIPE-UHFFFAOYSA-N
MW332.48 g/mol
LogP1.61
Rot. Bonds5

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

6-(methylamino)-N-(thiolan-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 80586000) has the molecular formula C11H16N4O2S3 and a molecular weight of 332.48 g/mol. Its IUPAC name is 6-(methylamino)-N-(thiolan-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound Name6-(methylamino)-N-(thiolan-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID80586000
Molecular FormulaC11H16N4O2S3
Molecular Weight332.48 g/mol
Exact Mass332.04
IUPAC Name6-(methylamino)-N-(thiolan-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCNc1nc2sccn2c1S(=O)(=O)NCC1CCCS1
InChIInChI=1S/C11H16N4O2S3/c1-12-9-10(15-4-6-19-11(15)14-9)20(16,17)13-7-8-3-2-5-18-8/h4,6,8,12-13H,2-3,5,7H2,1H3
InChIKeyUMQXEXUADWFIPE-UHFFFAOYSA-N
XLogP1.61
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.48
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(methylamino)-N-(thiolan-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of 6-(methylamino)-N-(thiolan-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 80586000) is 6-(methylamino)-N-(thiolan-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for 6-(methylamino)-N-(thiolan-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for 6-(methylamino)-N-(thiolan-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is CNc1nc2sccn2c1S(=O)(=O)NCC1CCCS1.
What is the InChIKey of 6-(methylamino)-N-(thiolan-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is UMQXEXUADWFIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2S3/c1-12-9-10(15-4-6-19-11(15)14-9)20(16,17)13-7-8-3-2-5-18-8/h4,6,8,12-13H,2-3,5,7H2,1H3.
What are the key properties of 6-(methylamino)-N-(thiolan-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
6-(methylamino)-N-(thiolan-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 332.48 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methylamino)-N-(thiolan-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 80586000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).