1-(4-methylphenyl)-3-(4-methylthiadiazol-5-yl)urea

C11H12N4OS — CID 913063

IUPAC1-(4-methylphenyl)-3-(4-methylthiadiazol-5-yl)urea
SMILESCc1ccc(NC(=O)Nc2snnc2C)cc1
InChIInChI=1S/C11H12N4OS/c1-7-3-5-9(6-4-7)12-11(16)13-10-8(2)14-15-17-10/h3-6H,1-2H3,(H2,12,13,16)
InChIKeyXOLALULSGJMWKW-UHFFFAOYSA-N
MW248.31 g/mol
LogP2.80
Rot. Bonds2

About 1-(4-methylphenyl)-3-(4-methylthiadiazol-5-yl)urea

1-(4-methylphenyl)-3-(4-methylthiadiazol-5-yl)urea (PubChem CID 913063) has the molecular formula C11H12N4OS and a molecular weight of 248.31 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-(4-methylthiadiazol-5-yl)urea.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-(4-methylthiadiazol-5-yl)urea
PubChem CID913063
Molecular FormulaC11H12N4OS
Molecular Weight248.31 g/mol
Exact Mass248.07
IUPAC Name1-(4-methylphenyl)-3-(4-methylthiadiazol-5-yl)urea
SMILESCc1ccc(NC(=O)Nc2snnc2C)cc1
InChIInChI=1S/C11H12N4OS/c1-7-3-5-9(6-4-7)12-11(16)13-10-8(2)14-15-17-10/h3-6H,1-2H3,(H2,12,13,16)
InChIKeyXOLALULSGJMWKW-UHFFFAOYSA-N
XLogP2.80
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-(4-methylthiadiazol-5-yl)urea?
The IUPAC name of 1-(4-methylphenyl)-3-(4-methylthiadiazol-5-yl)urea (CID 913063) is 1-(4-methylphenyl)-3-(4-methylthiadiazol-5-yl)urea.
What is the SMILES notation for 1-(4-methylphenyl)-3-(4-methylthiadiazol-5-yl)urea?
The canonical SMILES for 1-(4-methylphenyl)-3-(4-methylthiadiazol-5-yl)urea is Cc1ccc(NC(=O)Nc2snnc2C)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3-(4-methylthiadiazol-5-yl)urea?
The InChIKey is XOLALULSGJMWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4OS/c1-7-3-5-9(6-4-7)12-11(16)13-10-8(2)14-15-17-10/h3-6H,1-2H3,(H2,12,13,16).
What are the key properties of 1-(4-methylphenyl)-3-(4-methylthiadiazol-5-yl)urea?
1-(4-methylphenyl)-3-(4-methylthiadiazol-5-yl)urea has a molecular weight of 248.31 g/mol, XLogP of 2.80, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-(4-methylthiadiazol-5-yl)urea is sourced from PubChem (CID 913063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).