1-(5-methyl-1,2-oxazol-3-yl)-3-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]urea

C11H14N4O4S2 — CID 53498579

IUPAC1-(5-methyl-1,2-oxazol-3-yl)-3-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]urea
SMILESCNS(=O)(=O)c1ccc(CNC(=O)Nc2cc(C)on2)s1
InChIInChI=1S/C11H14N4O4S2/c1-7-5-9(15-19-7)14-11(16)13-6-8-3-4-10(20-8)21(17,18)12-2/h3-5,12H,6H2,1-2H3,(H2,13,14,15,16)
InChIKeyPHSRIBPDBMYXMN-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.27
Rot. Bonds5

About 1-(5-methyl-1,2-oxazol-3-yl)-3-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]urea

1-(5-methyl-1,2-oxazol-3-yl)-3-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]urea (PubChem CID 53498579) has the molecular formula C11H14N4O4S2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 1-(5-methyl-1,2-oxazol-3-yl)-3-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]urea.

Molecular Properties

Compound Name1-(5-methyl-1,2-oxazol-3-yl)-3-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]urea
PubChem CID53498579
Molecular FormulaC11H14N4O4S2
Molecular Weight330.39 g/mol
Exact Mass330.05
IUPAC Name1-(5-methyl-1,2-oxazol-3-yl)-3-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]urea
SMILESCNS(=O)(=O)c1ccc(CNC(=O)Nc2cc(C)on2)s1
InChIInChI=1S/C11H14N4O4S2/c1-7-5-9(15-19-7)14-11(16)13-6-8-3-4-10(20-8)21(17,18)12-2/h3-5,12H,6H2,1-2H3,(H2,13,14,15,16)
InChIKeyPHSRIBPDBMYXMN-UHFFFAOYSA-N
XLogP1.27
TPSA113.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,2-oxazol-3-yl)-3-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]urea?
The IUPAC name of 1-(5-methyl-1,2-oxazol-3-yl)-3-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]urea (CID 53498579) is 1-(5-methyl-1,2-oxazol-3-yl)-3-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]urea.
What is the SMILES notation for 1-(5-methyl-1,2-oxazol-3-yl)-3-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]urea?
The canonical SMILES for 1-(5-methyl-1,2-oxazol-3-yl)-3-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]urea is CNS(=O)(=O)c1ccc(CNC(=O)Nc2cc(C)on2)s1.
What is the InChIKey of 1-(5-methyl-1,2-oxazol-3-yl)-3-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]urea?
The InChIKey is PHSRIBPDBMYXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O4S2/c1-7-5-9(15-19-7)14-11(16)13-6-8-3-4-10(20-8)21(17,18)12-2/h3-5,12H,6H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 1-(5-methyl-1,2-oxazol-3-yl)-3-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]urea?
1-(5-methyl-1,2-oxazol-3-yl)-3-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]urea has a molecular weight of 330.39 g/mol, XLogP of 1.27, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,2-oxazol-3-yl)-3-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]urea is sourced from PubChem (CID 53498579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).