2-ethylsulfonyl-N-(2-methoxyethyl)-4-(4-methylphenyl)sulfonyl-1,3-thiazol-5-amine

C15H20N2O5S3 — CID 20888758

IUPAC2-ethylsulfonyl-N-(2-methoxyethyl)-4-(4-methylphenyl)sulfonyl-1,3-thiazol-5-amine
SMILESCCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(C)cc2)c(NCCOC)s1
InChIInChI=1S/C15H20N2O5S3/c1-4-24(18,19)15-17-14(13(23-15)16-9-10-22-3)25(20,21)12-7-5-11(2)6-8-12/h5-8,16H,4,9-10H2,1-3H3
InChIKeyGTKUJJAUFZCCHN-UHFFFAOYSA-N
MW404.54 g/mol
LogP2.14
Rot. Bonds8

About 2-ethylsulfonyl-N-(2-methoxyethyl)-4-(4-methylphenyl)sulfonyl-1,3-thiazol-5-amine

2-ethylsulfonyl-N-(2-methoxyethyl)-4-(4-methylphenyl)sulfonyl-1,3-thiazol-5-amine (PubChem CID 20888758) has the molecular formula C15H20N2O5S3 and a molecular weight of 404.54 g/mol. Its IUPAC name is 2-ethylsulfonyl-N-(2-methoxyethyl)-4-(4-methylphenyl)sulfonyl-1,3-thiazol-5-amine.

Molecular Properties

Compound Name2-ethylsulfonyl-N-(2-methoxyethyl)-4-(4-methylphenyl)sulfonyl-1,3-thiazol-5-amine
PubChem CID20888758
Molecular FormulaC15H20N2O5S3
Molecular Weight404.54 g/mol
Exact Mass404.05
IUPAC Name2-ethylsulfonyl-N-(2-methoxyethyl)-4-(4-methylphenyl)sulfonyl-1,3-thiazol-5-amine
SMILESCCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(C)cc2)c(NCCOC)s1
InChIInChI=1S/C15H20N2O5S3/c1-4-24(18,19)15-17-14(13(23-15)16-9-10-22-3)25(20,21)12-7-5-11(2)6-8-12/h5-8,16H,4,9-10H2,1-3H3
InChIKeyGTKUJJAUFZCCHN-UHFFFAOYSA-N
XLogP2.14
TPSA102.43 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.54
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-ethylsulfonyl-N-(2-methoxyethyl)-4-(4-methylphenyl)sulfonyl-1,3-thiazol-5-amine?
The IUPAC name of 2-ethylsulfonyl-N-(2-methoxyethyl)-4-(4-methylphenyl)sulfonyl-1,3-thiazol-5-amine (CID 20888758) is 2-ethylsulfonyl-N-(2-methoxyethyl)-4-(4-methylphenyl)sulfonyl-1,3-thiazol-5-amine.
What is the SMILES notation for 2-ethylsulfonyl-N-(2-methoxyethyl)-4-(4-methylphenyl)sulfonyl-1,3-thiazol-5-amine?
The canonical SMILES for 2-ethylsulfonyl-N-(2-methoxyethyl)-4-(4-methylphenyl)sulfonyl-1,3-thiazol-5-amine is CCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(C)cc2)c(NCCOC)s1.
What is the InChIKey of 2-ethylsulfonyl-N-(2-methoxyethyl)-4-(4-methylphenyl)sulfonyl-1,3-thiazol-5-amine?
The InChIKey is GTKUJJAUFZCCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5S3/c1-4-24(18,19)15-17-14(13(23-15)16-9-10-22-3)25(20,21)12-7-5-11(2)6-8-12/h5-8,16H,4,9-10H2,1-3H3.
What are the key properties of 2-ethylsulfonyl-N-(2-methoxyethyl)-4-(4-methylphenyl)sulfonyl-1,3-thiazol-5-amine?
2-ethylsulfonyl-N-(2-methoxyethyl)-4-(4-methylphenyl)sulfonyl-1,3-thiazol-5-amine has a molecular weight of 404.54 g/mol, XLogP of 2.14, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-N-(2-methoxyethyl)-4-(4-methylphenyl)sulfonyl-1,3-thiazol-5-amine is sourced from PubChem (CID 20888758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).