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[5-(dimethylsulfamoyl)furan-2-yl]methyl 2-(benzylamino)-1,3-thiazole-4-carboxylate

C18H19N3O5S2 — CID 55730559

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC[5-(dimethylsulfamoyl)furan-2-yl]methyl 2-(benzylamino)-1,3-thiazole-4-carboxylate
SMILESCN(C)S(=O)(=O)c1ccc(COC(=O)c2csc(NCc3ccccc3)n2)o1
InChIInChI=1S/C18H19N3O5S2/c1-21(2)28(23,24)16-9-8-14(26-16)11-25-17(22)15-12-27-18(20-15)19-10-13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3,(H,19,20)
InChIKeyVHXCSMLCSHUHKW-UHFFFAOYSA-N
MW421.50 g/mol
LogP2.96
Rot. Bonds8

About [5-(dimethylsulfamoyl)furan-2-yl]methyl 2-(benzylamino)-1,3-thiazole-4-carboxylate

[5-(dimethylsulfamoyl)furan-2-yl]methyl 2-(benzylamino)-1,3-thiazole-4-carboxylate (PubChem CID 55730559) has the molecular formula C18H19N3O5S2 and a molecular weight of 421.50 g/mol. Its IUPAC name is [5-(dimethylsulfamoyl)furan-2-yl]methyl 2-(benzylamino)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Name[5-(dimethylsulfamoyl)furan-2-yl]methyl 2-(benzylamino)-1,3-thiazole-4-carboxylate
PubChem CID55730559
Molecular FormulaC18H19N3O5S2
Molecular Weight421.50 g/mol
Exact Mass421.08
IUPAC Name[5-(dimethylsulfamoyl)furan-2-yl]methyl 2-(benzylamino)-1,3-thiazole-4-carboxylate
SMILESCN(C)S(=O)(=O)c1ccc(COC(=O)c2csc(NCc3ccccc3)n2)o1
InChIInChI=1S/C18H19N3O5S2/c1-21(2)28(23,24)16-9-8-14(26-16)11-25-17(22)15-12-27-18(20-15)19-10-13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3,(H,19,20)
InChIKeyVHXCSMLCSHUHKW-UHFFFAOYSA-N
XLogP2.96
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [5-(dimethylsulfamoyl)furan-2-yl]methyl 2-(benzylamino)-1,3-thiazole-4-carboxylate?
The IUPAC name of [5-(dimethylsulfamoyl)furan-2-yl]methyl 2-(benzylamino)-1,3-thiazole-4-carboxylate (CID 55730559) is [5-(dimethylsulfamoyl)furan-2-yl]methyl 2-(benzylamino)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for [5-(dimethylsulfamoyl)furan-2-yl]methyl 2-(benzylamino)-1,3-thiazole-4-carboxylate?
The canonical SMILES for [5-(dimethylsulfamoyl)furan-2-yl]methyl 2-(benzylamino)-1,3-thiazole-4-carboxylate is CN(C)S(=O)(=O)c1ccc(COC(=O)c2csc(NCc3ccccc3)n2)o1.
What is the InChIKey of [5-(dimethylsulfamoyl)furan-2-yl]methyl 2-(benzylamino)-1,3-thiazole-4-carboxylate?
The InChIKey is VHXCSMLCSHUHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5S2/c1-21(2)28(23,24)16-9-8-14(26-16)11-25-17(22)15-12-27-18(20-15)19-10-13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3,(H,19,20).
What are the key properties of [5-(dimethylsulfamoyl)furan-2-yl]methyl 2-(benzylamino)-1,3-thiazole-4-carboxylate?
[5-(dimethylsulfamoyl)furan-2-yl]methyl 2-(benzylamino)-1,3-thiazole-4-carboxylate has a molecular weight of 421.50 g/mol, XLogP of 2.96, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(dimethylsulfamoyl)furan-2-yl]methyl 2-(benzylamino)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 55730559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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