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

C16H13N3OS — CID 2241558

IUPAC2-methyl-N-(5-phenyl-1,2,4-thiadiazol-3-yl)benzamide
SMILESCc1ccccc1C(=O)Nc1nsc(-c2ccccc2)n1
InChIInChI=1S/C16H13N3OS/c1-11-7-5-6-10-13(11)14(20)17-16-18-15(21-19-16)12-8-3-2-4-9-12/h2-10H,1H3,(H,17,19,20)
InChIKeyVAVUVAMIEXMICP-UHFFFAOYSA-N
MW295.37 g/mol
LogP3.77
Rot. Bonds3

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

2-methyl-N-(5-phenyl-1,2,4-thiadiazol-3-yl)benzamide (PubChem CID 2241558) has the molecular formula C16H13N3OS and a molecular weight of 295.37 g/mol. Its IUPAC name is 2-methyl-N-(5-phenyl-1,2,4-thiadiazol-3-yl)benzamide.

Molecular Properties

Compound Name2-methyl-N-(5-phenyl-1,2,4-thiadiazol-3-yl)benzamide
PubChem CID2241558
Molecular FormulaC16H13N3OS
Molecular Weight295.37 g/mol
Exact Mass295.08
IUPAC Name2-methyl-N-(5-phenyl-1,2,4-thiadiazol-3-yl)benzamide
SMILESCc1ccccc1C(=O)Nc1nsc(-c2ccccc2)n1
InChIInChI=1S/C16H13N3OS/c1-11-7-5-6-10-13(11)14(20)17-16-18-15(21-19-16)12-8-3-2-4-9-12/h2-10H,1H3,(H,17,19,20)
InChIKeyVAVUVAMIEXMICP-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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Related Compounds

(5-phenyl-1,2,4-thiadiazol-3-yl)urea
CID 13131314
4-fluoro-N-(5-phenyl-1,2,4-thiadiazol-3-yl)benzamide
CID 2241556
2-chloro-N-(5-phenyl-1,2,4-thiadiazol-3-yl)acetamide
CID 44669111
1-phenyl-3-(5-phenyl-1,2,4-thiadiazol-3-yl)urea
CID 102116941
2-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 576996
2-methyl-N-(4-methylpyrimidin-2-yl)benzamide
CID 132962288
2-methyl-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide
CID 965390
2-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 35344742
4-[(2-methylbenzoyl)amino]thiophene-3-carboxylic acid
CID 82371184
2-methyl-N-[4-[(4-phenylbenzoyl)amino]phenyl]benzamide
CID 17251498
N-[5-(4-aminophenyl)-1,3,4-thiadiazol-2-yl]-2-methylbenzamide
CID 82176851
4-tert-butyl-N-[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]benzamide
CID 2212627

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(5-phenyl-1,2,4-thiadiazol-3-yl)benzamide?
The IUPAC name of 2-methyl-N-(5-phenyl-1,2,4-thiadiazol-3-yl)benzamide (CID 2241558) is 2-methyl-N-(5-phenyl-1,2,4-thiadiazol-3-yl)benzamide.
What is the SMILES notation for 2-methyl-N-(5-phenyl-1,2,4-thiadiazol-3-yl)benzamide?
The canonical SMILES for 2-methyl-N-(5-phenyl-1,2,4-thiadiazol-3-yl)benzamide is Cc1ccccc1C(=O)Nc1nsc(-c2ccccc2)n1.
What is the InChIKey of 2-methyl-N-(5-phenyl-1,2,4-thiadiazol-3-yl)benzamide?
The InChIKey is VAVUVAMIEXMICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3OS/c1-11-7-5-6-10-13(11)14(20)17-16-18-15(21-19-16)12-8-3-2-4-9-12/h2-10H,1H3,(H,17,19,20).
What are the key properties of 2-methyl-N-(5-phenyl-1,2,4-thiadiazol-3-yl)benzamide?
2-methyl-N-(5-phenyl-1,2,4-thiadiazol-3-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 2-methyl-N-(5-phenyl-1,2,4-thiadiazol-3-yl)benzamide is sourced from PubChem (CID 2241558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).