ethyl 2-[[4-(dimethylsulfamoyl)benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate

C16H19N3O5S2 — CID 2565451

IUPACethyl 2-[[4-(dimethylsulfamoyl)benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)nc1C
InChIInChI=1S/C16H19N3O5S2/c1-5-24-15(21)13-10(2)17-16(25-13)18-14(20)11-6-8-12(9-7-11)26(22,23)19(3)4/h6-9H,5H2,1-4H3,(H,17,18,20)
InChIKeyXJJADHBSSFLUTO-UHFFFAOYSA-N
MW397.48 g/mol
LogP2.13
Rot. Bonds6

About ethyl 2-[[4-(dimethylsulfamoyl)benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate

ethyl 2-[[4-(dimethylsulfamoyl)benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 2565451) has the molecular formula C16H19N3O5S2 and a molecular weight of 397.48 g/mol. Its IUPAC name is ethyl 2-[[4-(dimethylsulfamoyl)benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[4-(dimethylsulfamoyl)benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID2565451
Molecular FormulaC16H19N3O5S2
Molecular Weight397.48 g/mol
Exact Mass397.08
IUPAC Nameethyl 2-[[4-(dimethylsulfamoyl)benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)nc1C
InChIInChI=1S/C16H19N3O5S2/c1-5-24-15(21)13-10(2)17-16(25-13)18-14(20)11-6-8-12(9-7-11)26(22,23)19(3)4/h6-9H,5H2,1-4H3,(H,17,18,20)
InChIKeyXJJADHBSSFLUTO-UHFFFAOYSA-N
XLogP2.13
TPSA105.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[4-(dimethylsulfamoyl)benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-[[4-(dimethylsulfamoyl)benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate (CID 2565451) is ethyl 2-[[4-(dimethylsulfamoyl)benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[[4-(dimethylsulfamoyl)benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-[[4-(dimethylsulfamoyl)benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)nc1C.
What is the InChIKey of ethyl 2-[[4-(dimethylsulfamoyl)benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is XJJADHBSSFLUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O5S2/c1-5-24-15(21)13-10(2)17-16(25-13)18-14(20)11-6-8-12(9-7-11)26(22,23)19(3)4/h6-9H,5H2,1-4H3,(H,17,18,20).
What are the key properties of ethyl 2-[[4-(dimethylsulfamoyl)benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
ethyl 2-[[4-(dimethylsulfamoyl)benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 397.48 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[4-(dimethylsulfamoyl)benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 2565451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).