(2-anilino-1,3-thiazol-4-yl)methyl 4-(dimethylsulfamoyl)benzoate

C19H19N3O4S2 — CID 8833719

IUPAC(2-anilino-1,3-thiazol-4-yl)methyl 4-(dimethylsulfamoyl)benzoate
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)OCc2csc(Nc3ccccc3)n2)cc1
InChIInChI=1S/C19H19N3O4S2/c1-22(2)28(24,25)17-10-8-14(9-11-17)18(23)26-12-16-13-27-19(21-16)20-15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3,(H,20,21)
InChIKeySCIDPANYUUKVKV-UHFFFAOYSA-N
MW417.51 g/mol
LogP3.49
Rot. Bonds7

About (2-anilino-1,3-thiazol-4-yl)methyl 4-(dimethylsulfamoyl)benzoate

(2-anilino-1,3-thiazol-4-yl)methyl 4-(dimethylsulfamoyl)benzoate (PubChem CID 8833719) has the molecular formula C19H19N3O4S2 and a molecular weight of 417.51 g/mol. Its IUPAC name is (2-anilino-1,3-thiazol-4-yl)methyl 4-(dimethylsulfamoyl)benzoate.

Molecular Properties

Compound Name(2-anilino-1,3-thiazol-4-yl)methyl 4-(dimethylsulfamoyl)benzoate
PubChem CID8833719
Molecular FormulaC19H19N3O4S2
Molecular Weight417.51 g/mol
Exact Mass417.08
IUPAC Name(2-anilino-1,3-thiazol-4-yl)methyl 4-(dimethylsulfamoyl)benzoate
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)OCc2csc(Nc3ccccc3)n2)cc1
InChIInChI=1S/C19H19N3O4S2/c1-22(2)28(24,25)17-10-8-14(9-11-17)18(23)26-12-16-13-27-19(21-16)20-15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3,(H,20,21)
InChIKeySCIDPANYUUKVKV-UHFFFAOYSA-N
XLogP3.49
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2-anilino-1,3-thiazol-4-yl)methyl 4-(dimethylsulfamoyl)benzoate?
The IUPAC name of (2-anilino-1,3-thiazol-4-yl)methyl 4-(dimethylsulfamoyl)benzoate (CID 8833719) is (2-anilino-1,3-thiazol-4-yl)methyl 4-(dimethylsulfamoyl)benzoate.
What is the SMILES notation for (2-anilino-1,3-thiazol-4-yl)methyl 4-(dimethylsulfamoyl)benzoate?
The canonical SMILES for (2-anilino-1,3-thiazol-4-yl)methyl 4-(dimethylsulfamoyl)benzoate is CN(C)S(=O)(=O)c1ccc(C(=O)OCc2csc(Nc3ccccc3)n2)cc1.
What is the InChIKey of (2-anilino-1,3-thiazol-4-yl)methyl 4-(dimethylsulfamoyl)benzoate?
The InChIKey is SCIDPANYUUKVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S2/c1-22(2)28(24,25)17-10-8-14(9-11-17)18(23)26-12-16-13-27-19(21-16)20-15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3,(H,20,21).
What are the key properties of (2-anilino-1,3-thiazol-4-yl)methyl 4-(dimethylsulfamoyl)benzoate?
(2-anilino-1,3-thiazol-4-yl)methyl 4-(dimethylsulfamoyl)benzoate has a molecular weight of 417.51 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilino-1,3-thiazol-4-yl)methyl 4-(dimethylsulfamoyl)benzoate is sourced from PubChem (CID 8833719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).