5-N-(2-ethoxyethyl)-5-N-ethyl-4-methylsulfonyl-1,2-thiazole-3,5-diamine

C10H19N3O3S2 — CID 103381909

IUPAC5-N-(2-ethoxyethyl)-5-N-ethyl-4-methylsulfonyl-1,2-thiazole-3,5-diamine
SMILESCCOCCN(CC)c1snc(N)c1S(C)(=O)=O
InChIInChI=1S/C10H19N3O3S2/c1-4-13(6-7-16-5-2)10-8(18(3,14)15)9(11)12-17-10/h4-7H2,1-3H3,(H2,11,12)
InChIKeyLFJOBPQCKYQQMD-UHFFFAOYSA-N
MW293.41 g/mol
LogP0.99
Rot. Bonds7

About 5-N-(2-ethoxyethyl)-5-N-ethyl-4-methylsulfonyl-1,2-thiazole-3,5-diamine

5-N-(2-ethoxyethyl)-5-N-ethyl-4-methylsulfonyl-1,2-thiazole-3,5-diamine (PubChem CID 103381909) has the molecular formula C10H19N3O3S2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 5-N-(2-ethoxyethyl)-5-N-ethyl-4-methylsulfonyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(2-ethoxyethyl)-5-N-ethyl-4-methylsulfonyl-1,2-thiazole-3,5-diamine
PubChem CID103381909
Molecular FormulaC10H19N3O3S2
Molecular Weight293.41 g/mol
Exact Mass293.09
IUPAC Name5-N-(2-ethoxyethyl)-5-N-ethyl-4-methylsulfonyl-1,2-thiazole-3,5-diamine
SMILESCCOCCN(CC)c1snc(N)c1S(C)(=O)=O
InChIInChI=1S/C10H19N3O3S2/c1-4-13(6-7-16-5-2)10-8(18(3,14)15)9(11)12-17-10/h4-7H2,1-3H3,(H2,11,12)
InChIKeyLFJOBPQCKYQQMD-UHFFFAOYSA-N
XLogP0.99
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 50.99
H-Bond Donors ≤ 51
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 5-N-(2-ethoxyethyl)-5-N-ethyl-4-methylsulfonyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-(2-ethoxyethyl)-5-N-ethyl-4-methylsulfonyl-1,2-thiazole-3,5-diamine (CID 103381909) is 5-N-(2-ethoxyethyl)-5-N-ethyl-4-methylsulfonyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-(2-ethoxyethyl)-5-N-ethyl-4-methylsulfonyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-(2-ethoxyethyl)-5-N-ethyl-4-methylsulfonyl-1,2-thiazole-3,5-diamine is CCOCCN(CC)c1snc(N)c1S(C)(=O)=O.
What is the InChIKey of 5-N-(2-ethoxyethyl)-5-N-ethyl-4-methylsulfonyl-1,2-thiazole-3,5-diamine?
The InChIKey is LFJOBPQCKYQQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3S2/c1-4-13(6-7-16-5-2)10-8(18(3,14)15)9(11)12-17-10/h4-7H2,1-3H3,(H2,11,12).
What are the key properties of 5-N-(2-ethoxyethyl)-5-N-ethyl-4-methylsulfonyl-1,2-thiazole-3,5-diamine?
5-N-(2-ethoxyethyl)-5-N-ethyl-4-methylsulfonyl-1,2-thiazole-3,5-diamine has a molecular weight of 293.41 g/mol, XLogP of 0.99, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-ethoxyethyl)-5-N-ethyl-4-methylsulfonyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103381909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).