3-amino-5-[2-ethoxyethyl(ethyl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide

C11H22N4O3S2 — CID 103362965

IUPAC3-amino-5-[2-ethoxyethyl(ethyl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide
SMILESCCOCCN(CC)c1snc(N)c1S(=O)(=O)N(C)C
InChIInChI=1S/C11H22N4O3S2/c1-5-15(7-8-18-6-2)11-9(10(12)13-19-11)20(16,17)14(3)4/h5-8H2,1-4H3,(H2,12,13)
InChIKeyBFOQTTRCFYKRCA-UHFFFAOYSA-N
MW322.46 g/mol
LogP0.84
Rot. Bonds8

About 3-amino-5-[2-ethoxyethyl(ethyl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide

3-amino-5-[2-ethoxyethyl(ethyl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide (PubChem CID 103362965) has the molecular formula C11H22N4O3S2 and a molecular weight of 322.46 g/mol. Its IUPAC name is 3-amino-5-[2-ethoxyethyl(ethyl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-5-[2-ethoxyethyl(ethyl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide
PubChem CID103362965
Molecular FormulaC11H22N4O3S2
Molecular Weight322.46 g/mol
Exact Mass322.11
IUPAC Name3-amino-5-[2-ethoxyethyl(ethyl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide
SMILESCCOCCN(CC)c1snc(N)c1S(=O)(=O)N(C)C
InChIInChI=1S/C11H22N4O3S2/c1-5-15(7-8-18-6-2)11-9(10(12)13-19-11)20(16,17)14(3)4/h5-8H2,1-4H3,(H2,12,13)
InChIKeyBFOQTTRCFYKRCA-UHFFFAOYSA-N
XLogP0.84
TPSA88.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-amino-5-[2-ethoxyethyl(ethyl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-N-(2-ethoxyethyl)-5-N-ethyl-4-methylsulfonyl-1,2-thiazole-3,5-diamine
CID 103381909
3-amino-5-[ethyl(2-hydroxyethyl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide
CID 103360630
3-amino-N,N-dimethyl-5-[methyl(pentyl)amino]-1,2-thiazole-4-sulfonamide
CID 103362628
5-N,5-N-bis(2-methoxyethyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine
CID 103380711
3-amino-N-cyclopropyl-5-[2-ethoxyethyl(ethyl)amino]-1,2-thiazole-4-carboxamide
CID 103381914
5-N-[3-(dimethylamino)propyl]-5-N-ethyl-4-propylsulfonyl-1,2-thiazole-3,5-diamine
CID 103365992
3-amino-N,N-dimethyl-5-[methyl(2,2,2-trifluoroethyl)amino]-1,2-thiazole-4-sulfonamide
CID 103360593
2-[(3-amino-4-ethylsulfonyl-1,2-thiazol-5-yl)-(2-hydroxyethyl)amino]ethanol
CID 103360672
5-N-(2-ethoxyethyl)-5-N-ethyl-1,2-thiazole-3,5-diamine
CID 103362970
4-ethoxy-5-N-(2-ethoxyethyl)-5-N-methyl-1,2-thiazole-3,5-diamine
CID 103364467
4-cyclopropylsulfonyl-5-N-[3-(dimethylamino)propyl]-5-N-ethyl-1,2-thiazole-3,5-diamine
CID 103349899
5-N-(2-ethoxyethyl)-4-methoxy-5-N-methyl-1,2-thiazole-3,5-diamine
CID 103383373

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[2-ethoxyethyl(ethyl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide?
The IUPAC name of 3-amino-5-[2-ethoxyethyl(ethyl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide (CID 103362965) is 3-amino-5-[2-ethoxyethyl(ethyl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide.
What is the SMILES notation for 3-amino-5-[2-ethoxyethyl(ethyl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide?
The canonical SMILES for 3-amino-5-[2-ethoxyethyl(ethyl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide is CCOCCN(CC)c1snc(N)c1S(=O)(=O)N(C)C.
What is the InChIKey of 3-amino-5-[2-ethoxyethyl(ethyl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide?
The InChIKey is BFOQTTRCFYKRCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O3S2/c1-5-15(7-8-18-6-2)11-9(10(12)13-19-11)20(16,17)14(3)4/h5-8H2,1-4H3,(H2,12,13).
What are the key properties of 3-amino-5-[2-ethoxyethyl(ethyl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide?
3-amino-5-[2-ethoxyethyl(ethyl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide has a molecular weight of 322.46 g/mol, XLogP of 0.84, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[2-ethoxyethyl(ethyl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide is sourced from PubChem (CID 103362965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).