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

C9H17N3O3S2 — CID 81057986

IUPAC2-amino-N-(2-ethoxyethyl)-N,4-dimethyl-1,3-thiazole-5-sulfonamide
SMILESCCOCCN(C)S(=O)(=O)c1sc(N)nc1C
InChIInChI=1S/C9H17N3O3S2/c1-4-15-6-5-12(3)17(13,14)8-7(2)11-9(10)16-8/h4-6H2,1-3H3,(H2,10,11)
InChIKeyUOEBOLUKBZWEFL-UHFFFAOYSA-N
MW279.39 g/mol
LogP0.69
Rot. Bonds6

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

2-amino-N-(2-ethoxyethyl)-N,4-dimethyl-1,3-thiazole-5-sulfonamide (PubChem CID 81057986) has the molecular formula C9H17N3O3S2 and a molecular weight of 279.39 g/mol. Its IUPAC name is 2-amino-N-(2-ethoxyethyl)-N,4-dimethyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-amino-N-(2-ethoxyethyl)-N,4-dimethyl-1,3-thiazole-5-sulfonamide
PubChem CID81057986
Molecular FormulaC9H17N3O3S2
Molecular Weight279.39 g/mol
Exact Mass279.07
IUPAC Name2-amino-N-(2-ethoxyethyl)-N,4-dimethyl-1,3-thiazole-5-sulfonamide
SMILESCCOCCN(C)S(=O)(=O)c1sc(N)nc1C
InChIInChI=1S/C9H17N3O3S2/c1-4-15-6-5-12(3)17(13,14)8-7(2)11-9(10)16-8/h4-6H2,1-3H3,(H2,10,11)
InChIKeyUOEBOLUKBZWEFL-UHFFFAOYSA-N
XLogP0.69
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 50.69
H-Bond Donors ≤ 51
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 2-amino-N-(2-ethoxyethyl)-N,4-dimethyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-amino-N-(2-ethoxyethyl)-N,4-dimethyl-1,3-thiazole-5-sulfonamide (CID 81057986) is 2-amino-N-(2-ethoxyethyl)-N,4-dimethyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-amino-N-(2-ethoxyethyl)-N,4-dimethyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-amino-N-(2-ethoxyethyl)-N,4-dimethyl-1,3-thiazole-5-sulfonamide is CCOCCN(C)S(=O)(=O)c1sc(N)nc1C.
What is the InChIKey of 2-amino-N-(2-ethoxyethyl)-N,4-dimethyl-1,3-thiazole-5-sulfonamide?
The InChIKey is UOEBOLUKBZWEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3S2/c1-4-15-6-5-12(3)17(13,14)8-7(2)11-9(10)16-8/h4-6H2,1-3H3,(H2,10,11).
What are the key properties of 2-amino-N-(2-ethoxyethyl)-N,4-dimethyl-1,3-thiazole-5-sulfonamide?
2-amino-N-(2-ethoxyethyl)-N,4-dimethyl-1,3-thiazole-5-sulfonamide has a molecular weight of 279.39 g/mol, XLogP of 0.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-ethoxyethyl)-N,4-dimethyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 81057986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).