N-ethyl-2-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethanesulfonamide

C11H18N4O3S2 — CID 106334575

IUPACN-ethyl-2-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethanesulfonamide
SMILESCCNS(=O)(=O)CCNCc1c(OC)nc2sccn12
InChIInChI=1S/C11H18N4O3S2/c1-3-13-20(16,17)7-4-12-8-9-10(18-2)14-11-15(9)5-6-19-11/h5-6,12-13H,3-4,7-8H2,1-2H3
InChIKeyKQBSDQUEOZRRLK-UHFFFAOYSA-N
MW318.42 g/mol
LogP0.43
Rot. Bonds8

About N-ethyl-2-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethanesulfonamide

N-ethyl-2-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethanesulfonamide (PubChem CID 106334575) has the molecular formula C11H18N4O3S2 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-ethyl-2-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethanesulfonamide.

Molecular Properties

Compound NameN-ethyl-2-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethanesulfonamide
PubChem CID106334575
Molecular FormulaC11H18N4O3S2
Molecular Weight318.42 g/mol
Exact Mass318.08
IUPAC NameN-ethyl-2-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethanesulfonamide
SMILESCCNS(=O)(=O)CCNCc1c(OC)nc2sccn12
InChIInChI=1S/C11H18N4O3S2/c1-3-13-20(16,17)7-4-12-8-9-10(18-2)14-11-15(9)5-6-19-11/h5-6,12-13H,3-4,7-8H2,1-2H3
InChIKeyKQBSDQUEOZRRLK-UHFFFAOYSA-N
XLogP0.43
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 50.43
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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Related Compounds

3-methoxy-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine
CID 43769566
3,3,3-trifluoro-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine
CID 63226560
3-(2-methoxyethoxy)-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine
CID 43770890
2-[2-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethoxy]ethanol
CID 43771454
N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-phenylethanamine
CID 43761861
1-(2-ethylphenyl)-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine
CID 64681770
3-imidazol-1-yl-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine
CID 43773804
N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 43769500
N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 63826771
N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-morpholin-4-ylethanamine
CID 43764195
N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-thiophen-2-ylmethanamine
CID 43769303
N-(1H-imidazol-2-ylmethyl)-1-(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methanamine
CID 64547605

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethanesulfonamide?
The IUPAC name of N-ethyl-2-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethanesulfonamide (CID 106334575) is N-ethyl-2-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethanesulfonamide.
What is the SMILES notation for N-ethyl-2-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethanesulfonamide?
The canonical SMILES for N-ethyl-2-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethanesulfonamide is CCNS(=O)(=O)CCNCc1c(OC)nc2sccn12.
What is the InChIKey of N-ethyl-2-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethanesulfonamide?
The InChIKey is KQBSDQUEOZRRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3S2/c1-3-13-20(16,17)7-4-12-8-9-10(18-2)14-11-15(9)5-6-19-11/h5-6,12-13H,3-4,7-8H2,1-2H3.
What are the key properties of N-ethyl-2-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethanesulfonamide?
N-ethyl-2-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethanesulfonamide has a molecular weight of 318.42 g/mol, XLogP of 0.43, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]ethanesulfonamide is sourced from PubChem (CID 106334575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).