3,5-dimethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1,2-oxazole-4-carboxamide

C15H14N4O4S2 — CID 2225489

About 3,5-dimethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1,2-oxazole-4-carboxamide

3,5-dimethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1,2-oxazole-4-carboxamide (PubChem CID 2225489) has the molecular formula C15H14N4O4S2 and a molecular weight of 378.44 g/mol. Its IUPAC name is 3,5-dimethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: 3,5-dimethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1,2-oxazole-4-carboxamide
• PubChem CID: 2225489
• Molecular Formula: C15H14N4O4S2
• Molecular Weight: 378.44 g/mol
• Exact Mass: 378.05
• IUPAC Name: 3,5-dimethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1,2-oxazole-4-carboxamide
• SMILES: Cc1noc(C)c1C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
• InChI: InChI=1S/C15H14N4O4S2/c1-9-13(10(2)23-18-9)14(20)17-11-3-5-12(6-4-11)25(21,22)19-15-16-7-8-24-15/h3-8H,1-2H3,(H,16,19)(H,17,20)
• InChIKey: QLIYBLHMJPGGPW-UHFFFAOYSA-N
• XLogP: 2.80
• TPSA: 114.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.44
LogP ≤ 5	2.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1,2-oxazole-4-carboxamide?

The IUPAC name of 3,5-dimethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1,2-oxazole-4-carboxamide (CID 2225489) is 3,5-dimethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1,2-oxazole-4-carboxamide.

What is the SMILES notation for 3,5-dimethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1,2-oxazole-4-carboxamide?

The canonical SMILES for 3,5-dimethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1.

What is the InChIKey of 3,5-dimethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1,2-oxazole-4-carboxamide?

The InChIKey is QLIYBLHMJPGGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O4S2/c1-9-13(10(2)23-18-9)14(20)17-11-3-5-12(6-4-11)25(21,22)19-15-16-7-8-24-15/h3-8H,1-2H3,(H,16,19)(H,17,20).

What are the key properties of 3,5-dimethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1,2-oxazole-4-carboxamide?

3,5-dimethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1,2-oxazole-4-carboxamide has a molecular weight of 378.44 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dimethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 2225489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).