4-methyl-N-(4-methylphenyl)thiadiazole-5-carboxamide

C11H11N3OS — CID 850826

IUPAC4-methyl-N-(4-methylphenyl)thiadiazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2snnc2C)cc1
InChIInChI=1S/C11H11N3OS/c1-7-3-5-9(6-4-7)12-11(15)10-8(2)13-14-16-10/h3-6H,1-2H3,(H,12,15)
InChIKeySLKPWVISRATEOW-UHFFFAOYSA-N
MW233.30 g/mol
LogP2.41
Rot. Bonds2

About 4-methyl-N-(4-methylphenyl)thiadiazole-5-carboxamide

4-methyl-N-(4-methylphenyl)thiadiazole-5-carboxamide (PubChem CID 850826) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is 4-methyl-N-(4-methylphenyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(4-methylphenyl)thiadiazole-5-carboxamide
PubChem CID850826
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC Name4-methyl-N-(4-methylphenyl)thiadiazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2snnc2C)cc1
InChIInChI=1S/C11H11N3OS/c1-7-3-5-9(6-4-7)12-11(15)10-8(2)13-14-16-10/h3-6H,1-2H3,(H,12,15)
InChIKeySLKPWVISRATEOW-UHFFFAOYSA-N
XLogP2.41
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-methylphenyl)thiadiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-(4-methylphenyl)thiadiazole-5-carboxamide (CID 850826) is 4-methyl-N-(4-methylphenyl)thiadiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-(4-methylphenyl)thiadiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-(4-methylphenyl)thiadiazole-5-carboxamide is Cc1ccc(NC(=O)c2snnc2C)cc1.
What is the InChIKey of 4-methyl-N-(4-methylphenyl)thiadiazole-5-carboxamide?
The InChIKey is SLKPWVISRATEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS/c1-7-3-5-9(6-4-7)12-11(15)10-8(2)13-14-16-10/h3-6H,1-2H3,(H,12,15).
What are the key properties of 4-methyl-N-(4-methylphenyl)thiadiazole-5-carboxamide?
4-methyl-N-(4-methylphenyl)thiadiazole-5-carboxamide has a molecular weight of 233.30 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-methylphenyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 850826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).