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

C16H13N3O2S — CID 4182199

IUPAC2-methoxy-N-(5-phenyl-1,2,4-thiadiazol-3-yl)benzamide
SMILESCOc1ccccc1C(=O)Nc1nsc(-c2ccccc2)n1
InChIInChI=1S/C16H13N3O2S/c1-21-13-10-6-5-9-12(13)14(20)17-16-18-15(22-19-16)11-7-3-2-4-8-11/h2-10H,1H3,(H,17,19,20)
InChIKeyHEZFVZZTHXEKJK-UHFFFAOYSA-N
MW311.37 g/mol
LogP3.47
Rot. Bonds4

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

2-methoxy-N-(5-phenyl-1,2,4-thiadiazol-3-yl)benzamide (PubChem CID 4182199) has the molecular formula C16H13N3O2S and a molecular weight of 311.37 g/mol. Its IUPAC name is 2-methoxy-N-(5-phenyl-1,2,4-thiadiazol-3-yl)benzamide.

Molecular Properties

Compound Name2-methoxy-N-(5-phenyl-1,2,4-thiadiazol-3-yl)benzamide
PubChem CID4182199
Molecular FormulaC16H13N3O2S
Molecular Weight311.37 g/mol
Exact Mass311.07
IUPAC Name2-methoxy-N-(5-phenyl-1,2,4-thiadiazol-3-yl)benzamide
SMILESCOc1ccccc1C(=O)Nc1nsc(-c2ccccc2)n1
InChIInChI=1S/C16H13N3O2S/c1-21-13-10-6-5-9-12(13)14(20)17-16-18-15(22-19-16)11-7-3-2-4-8-11/h2-10H,1H3,(H,17,19,20)
InChIKeyHEZFVZZTHXEKJK-UHFFFAOYSA-N
XLogP3.47
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide
CID 667741
3-(2-Methoxyphenyl)-5-phenyl-1,2,4-oxadiazole
CID 2234387
5-(2-Methoxyphenyl)-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 2243275
4-Methoxy-3-methyl-N-(3-phenyl-[1,2,4]thiadiazol-5-yl)-benzamide
CID 10853502
3-methoxy-N-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]benzamide
CID 16014639
2-methoxy-N-(5-phenyl-1H-1,2,4-triazol-3-yl)benzamide
CID 32460717
(5-Amino-3-phenyl-1,2,4-triazol-1-yl)-(2-methoxyphenyl)methanone
CID 895500
N-[3-(4-bromophenyl)-1,2,4-thiadiazol-5-yl]-2-methoxybenzamide
CID 16015093
2-methoxy-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide
CID 2241550
2-bromo-N-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]benzamide
CID 16014641
N-[3-(4-bromophenyl)-1,2,4-thiadiazol-5-yl]-3-methoxybenzamide
CID 16015111
4-methoxy-N-(5-phenyl-1,2,4-thiadiazol-3-yl)benzamide
CID 2241557

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(5-phenyl-1,2,4-thiadiazol-3-yl)benzamide?
The IUPAC name of 2-methoxy-N-(5-phenyl-1,2,4-thiadiazol-3-yl)benzamide (CID 4182199) is 2-methoxy-N-(5-phenyl-1,2,4-thiadiazol-3-yl)benzamide.
What is the SMILES notation for 2-methoxy-N-(5-phenyl-1,2,4-thiadiazol-3-yl)benzamide?
The canonical SMILES for 2-methoxy-N-(5-phenyl-1,2,4-thiadiazol-3-yl)benzamide is COc1ccccc1C(=O)Nc1nsc(-c2ccccc2)n1.
What is the InChIKey of 2-methoxy-N-(5-phenyl-1,2,4-thiadiazol-3-yl)benzamide?
The InChIKey is HEZFVZZTHXEKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2S/c1-21-13-10-6-5-9-12(13)14(20)17-16-18-15(22-19-16)11-7-3-2-4-8-11/h2-10H,1H3,(H,17,19,20).
What are the key properties of 2-methoxy-N-(5-phenyl-1,2,4-thiadiazol-3-yl)benzamide?
2-methoxy-N-(5-phenyl-1,2,4-thiadiazol-3-yl)benzamide has a molecular weight of 311.37 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(5-phenyl-1,2,4-thiadiazol-3-yl)benzamide is sourced from PubChem (CID 4182199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).