2-[1-[benzylsulfamoyl(methyl)amino]ethyl]-1,3-thiazole

C13H17N3O2S2 — CID 56878722

IUPAC2-[1-[benzylsulfamoyl(methyl)amino]ethyl]-1,3-thiazole
SMILESCC(c1nccs1)N(C)S(=O)(=O)NCc1ccccc1
InChIInChI=1S/C13H17N3O2S2/c1-11(13-14-8-9-19-13)16(2)20(17,18)15-10-12-6-4-3-5-7-12/h3-9,11,15H,10H2,1-2H3
InChIKeyHGTDHDABGVOZJQ-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.17
Rot. Bonds6

About 2-[1-[benzylsulfamoyl(methyl)amino]ethyl]-1,3-thiazole

2-[1-[benzylsulfamoyl(methyl)amino]ethyl]-1,3-thiazole (PubChem CID 56878722) has the molecular formula C13H17N3O2S2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 2-[1-[benzylsulfamoyl(methyl)amino]ethyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[1-[benzylsulfamoyl(methyl)amino]ethyl]-1,3-thiazole
PubChem CID56878722
Molecular FormulaC13H17N3O2S2
Molecular Weight311.43 g/mol
Exact Mass311.08
IUPAC Name2-[1-[benzylsulfamoyl(methyl)amino]ethyl]-1,3-thiazole
SMILESCC(c1nccs1)N(C)S(=O)(=O)NCc1ccccc1
InChIInChI=1S/C13H17N3O2S2/c1-11(13-14-8-9-19-13)16(2)20(17,18)15-10-12-6-4-3-5-7-12/h3-9,11,15H,10H2,1-2H3
InChIKeyHGTDHDABGVOZJQ-UHFFFAOYSA-N
XLogP2.17
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[benzylsulfamoyl(methyl)amino]ethyl]-1,3-thiazole?
The IUPAC name of 2-[1-[benzylsulfamoyl(methyl)amino]ethyl]-1,3-thiazole (CID 56878722) is 2-[1-[benzylsulfamoyl(methyl)amino]ethyl]-1,3-thiazole.
What is the SMILES notation for 2-[1-[benzylsulfamoyl(methyl)amino]ethyl]-1,3-thiazole?
The canonical SMILES for 2-[1-[benzylsulfamoyl(methyl)amino]ethyl]-1,3-thiazole is CC(c1nccs1)N(C)S(=O)(=O)NCc1ccccc1.
What is the InChIKey of 2-[1-[benzylsulfamoyl(methyl)amino]ethyl]-1,3-thiazole?
The InChIKey is HGTDHDABGVOZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S2/c1-11(13-14-8-9-19-13)16(2)20(17,18)15-10-12-6-4-3-5-7-12/h3-9,11,15H,10H2,1-2H3.
What are the key properties of 2-[1-[benzylsulfamoyl(methyl)amino]ethyl]-1,3-thiazole?
2-[1-[benzylsulfamoyl(methyl)amino]ethyl]-1,3-thiazole has a molecular weight of 311.43 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[benzylsulfamoyl(methyl)amino]ethyl]-1,3-thiazole is sourced from PubChem (CID 56878722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).