4-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide

C16H13N3OS — CID 2241546

IUPAC4-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide
SMILESCc1ccc(C(=O)Nc2nc(-c3ccccc3)ns2)cc1
InChIInChI=1S/C16H13N3OS/c1-11-7-9-13(10-8-11)15(20)18-16-17-14(19-21-16)12-5-3-2-4-6-12/h2-10H,1H3,(H,17,18,19,20)
InChIKeySQUYVPKYSJAHMR-UHFFFAOYSA-N
MW295.37 g/mol
LogP3.77
Rot. Bonds3

About 4-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide

4-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide (PubChem CID 2241546) has the molecular formula C16H13N3OS and a molecular weight of 295.37 g/mol. Its IUPAC name is 4-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide.

Molecular Properties

Compound Name4-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide
PubChem CID2241546
Molecular FormulaC16H13N3OS
Molecular Weight295.37 g/mol
Exact Mass295.08
IUPAC Name4-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide
SMILESCc1ccc(C(=O)Nc2nc(-c3ccccc3)ns2)cc1
InChIInChI=1S/C16H13N3OS/c1-11-7-9-13(10-8-11)15(20)18-16-17-14(19-21-16)12-5-3-2-4-6-12/h2-10H,1H3,(H,17,18,19,20)
InChIKeySQUYVPKYSJAHMR-UHFFFAOYSA-N
XLogP3.77
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide?
The IUPAC name of 4-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide (CID 2241546) is 4-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide.
What is the SMILES notation for 4-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide?
The canonical SMILES for 4-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide is Cc1ccc(C(=O)Nc2nc(-c3ccccc3)ns2)cc1.
What is the InChIKey of 4-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide?
The InChIKey is SQUYVPKYSJAHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3OS/c1-11-7-9-13(10-8-11)15(20)18-16-17-14(19-21-16)12-5-3-2-4-6-12/h2-10H,1H3,(H,17,18,19,20).
What are the key properties of 4-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide?
4-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide has a molecular weight of 295.37 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide is sourced from PubChem (CID 2241546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).