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

C17H15N3O2S — CID 10853502

IUPAC4-methoxy-3-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2nc(-c3ccccc3)ns2)cc1C
InChIInChI=1S/C17H15N3O2S/c1-11-10-13(8-9-14(11)22-2)16(21)19-17-18-15(20-23-17)12-6-4-3-5-7-12/h3-10H,1-2H3,(H,18,19,20,21)
InChIKeyWWAIENLNWVSYGE-UHFFFAOYSA-N
MW325.39 g/mol
LogP3.77
Rot. Bonds4

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

4-methoxy-3-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide (PubChem CID 10853502) has the molecular formula C17H15N3O2S and a molecular weight of 325.39 g/mol. Its IUPAC name is 4-methoxy-3-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide.

Molecular Properties

Compound Name4-methoxy-3-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide
PubChem CID10853502
Molecular FormulaC17H15N3O2S
Molecular Weight325.39 g/mol
Exact Mass325.09
IUPAC Name4-methoxy-3-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2nc(-c3ccccc3)ns2)cc1C
InChIInChI=1S/C17H15N3O2S/c1-11-10-13(8-9-14(11)22-2)16(21)19-17-18-15(20-23-17)12-6-4-3-5-7-12/h3-10H,1-2H3,(H,18,19,20,21)
InChIKeyWWAIENLNWVSYGE-UHFFFAOYSA-N
XLogP3.77
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.77
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
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
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
[4-(3-Phenyl-[1,2,4]thiadiazol-5-ylcarbamoyl)-phenoxy]-acetic acid
CID 10808093
3-methoxy-N-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]benzamide
CID 16014639
5-ethyl-3-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)-1-benzofuran-2-carboxamide
CID 16014672
N-[3-(4-bromophenyl)-1,2,4-thiadiazol-5-yl]-4-methoxybenzamide
CID 16015091
N-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-3-methyl-1-benzofuran-2-carboxamide
CID 16014676

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide?
The IUPAC name of 4-methoxy-3-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide (CID 10853502) is 4-methoxy-3-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide.
What is the SMILES notation for 4-methoxy-3-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide?
The canonical SMILES for 4-methoxy-3-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide is COc1ccc(C(=O)Nc2nc(-c3ccccc3)ns2)cc1C.
What is the InChIKey of 4-methoxy-3-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide?
The InChIKey is WWAIENLNWVSYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S/c1-11-10-13(8-9-14(11)22-2)16(21)19-17-18-15(20-23-17)12-6-4-3-5-7-12/h3-10H,1-2H3,(H,18,19,20,21).
What are the key properties of 4-methoxy-3-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide?
4-methoxy-3-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide has a molecular weight of 325.39 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide is sourced from PubChem (CID 10853502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).