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

C10H16N4O3S2 — CID 55044056

IUPACN-(3-methoxypropyl)-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCNc1nc2sccn2c1S(=O)(=O)NCCCOC
InChIInChI=1S/C10H16N4O3S2/c1-11-8-9(14-5-7-18-10(14)13-8)19(15,16)12-4-3-6-17-2/h5,7,11-12H,3-4,6H2,1-2H3
InChIKeyJTZLTJRAZUAURE-UHFFFAOYSA-N
MW304.40 g/mol
LogP0.75
Rot. Bonds7

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

N-(3-methoxypropyl)-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 55044056) has the molecular formula C10H16N4O3S2 and a molecular weight of 304.40 g/mol. Its IUPAC name is N-(3-methoxypropyl)-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID55044056
Molecular FormulaC10H16N4O3S2
Molecular Weight304.40 g/mol
Exact Mass304.07
IUPAC NameN-(3-methoxypropyl)-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCNc1nc2sccn2c1S(=O)(=O)NCCCOC
InChIInChI=1S/C10H16N4O3S2/c1-11-8-9(14-5-7-18-10(14)13-8)19(15,16)12-4-3-6-17-2/h5,7,11-12H,3-4,6H2,1-2H3
InChIKeyJTZLTJRAZUAURE-UHFFFAOYSA-N
XLogP0.75
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 N-(3-methoxypropyl)-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of N-(3-methoxypropyl)-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 55044056) is N-(3-methoxypropyl)-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for N-(3-methoxypropyl)-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for N-(3-methoxypropyl)-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is CNc1nc2sccn2c1S(=O)(=O)NCCCOC.
What is the InChIKey of N-(3-methoxypropyl)-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is JTZLTJRAZUAURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3S2/c1-11-8-9(14-5-7-18-10(14)13-8)19(15,16)12-4-3-6-17-2/h5,7,11-12H,3-4,6H2,1-2H3.
What are the key properties of N-(3-methoxypropyl)-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
N-(3-methoxypropyl)-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 304.40 g/mol, XLogP of 0.75, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 55044056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).