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

C16H13N3O2S — CID 667741

IUPAC4-methoxy-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2nc(-c3ccccc3)ns2)cc1
InChIInChI=1S/C16H13N3O2S/c1-21-13-9-7-12(8-10-13)15(20)18-16-17-14(19-22-16)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18,19,20)
InChIKeyRGVXOHBJCGPTQH-UHFFFAOYSA-N
MW311.37 g/mol
LogP3.47
Rot. Bonds4

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

4-methoxy-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide (PubChem CID 667741) has the molecular formula C16H13N3O2S and a molecular weight of 311.37 g/mol. Its IUPAC name is 4-methoxy-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide.

Molecular Properties

Compound Name4-methoxy-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide
PubChem CID667741
Molecular FormulaC16H13N3O2S
Molecular Weight311.37 g/mol
Exact Mass311.07
IUPAC Name4-methoxy-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2nc(-c3ccccc3)ns2)cc1
InChIInChI=1S/C16H13N3O2S/c1-21-13-9-7-12(8-10-13)15(20)18-16-17-14(19-22-16)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18,19,20)
InChIKeyRGVXOHBJCGPTQH-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-hydroxy-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide
CID 9994776
N-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]acetamide
CID 10014953
2-methoxy-N-(5-phenyl-1,2,4-thiadiazol-3-yl)benzamide
CID 4182199
3-(4-Methoxyphenyl)-5-(4-methylphenyl)-1,2,4-oxadiazole
CID 877438
5-(4-Methoxyphenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 5152913
5-(4-Methoxyphenyl)-3-phenyl-1,2,4-oxadiazole
CID 583994
1-benzoyl-3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-amine
CID 753280
1-(4-methoxybenzoyl)-3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-ylamine
CID 753284
methyl4-{[5-(methylthio)-3-phenyl-1H-1,2,4-triazol-1-yl]carbonyl}phenylether
CID 828565
5-(2-Fluorophenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 925735
[4-(3-Phenyl-[1,2,4]thiadiazol-5-ylcarbamoyl)-phenoxy]-acetic acid
CID 10808093
4-Methoxy-3-methyl-N-(3-phenyl-[1,2,4]thiadiazol-5-yl)-benzamide
CID 10853502

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide?
The IUPAC name of 4-methoxy-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide (CID 667741) is 4-methoxy-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide.
What is the SMILES notation for 4-methoxy-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide?
The canonical SMILES for 4-methoxy-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide is COc1ccc(C(=O)Nc2nc(-c3ccccc3)ns2)cc1.
What is the InChIKey of 4-methoxy-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide?
The InChIKey is RGVXOHBJCGPTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2S/c1-21-13-9-7-12(8-10-13)15(20)18-16-17-14(19-22-16)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18,19,20).
What are the key properties of 4-methoxy-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide?
4-methoxy-N-(3-phenyl-1,2,4-thiadiazol-5-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 4-methoxy-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide is sourced from PubChem (CID 667741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).