N-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]-2-methylsulfanylpyridine-3-carboxamide

C20H16N4O2S2 — CID 53163828

IUPACN-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)Nc1ccsc1-c1nc(-c2cccc(C)c2)no1
InChIInChI=1S/C20H16N4O2S2/c1-12-5-3-6-13(11-12)17-23-19(26-24-17)16-15(8-10-28-16)22-18(25)14-7-4-9-21-20(14)27-2/h3-11H,1-2H3,(H,22,25)
InChIKeyBNQJRDOEBQGAAY-UHFFFAOYSA-N
MW408.51 g/mol
LogP5.14
Rot. Bonds5

About N-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]-2-methylsulfanylpyridine-3-carboxamide

N-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]-2-methylsulfanylpyridine-3-carboxamide (PubChem CID 53163828) has the molecular formula C20H16N4O2S2 and a molecular weight of 408.51 g/mol. Its IUPAC name is N-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]-2-methylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]-2-methylsulfanylpyridine-3-carboxamide
PubChem CID53163828
Molecular FormulaC20H16N4O2S2
Molecular Weight408.51 g/mol
Exact Mass408.07
IUPAC NameN-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)Nc1ccsc1-c1nc(-c2cccc(C)c2)no1
InChIInChI=1S/C20H16N4O2S2/c1-12-5-3-6-13(11-12)17-23-19(26-24-17)16-15(8-10-28-16)22-18(25)14-7-4-9-21-20(14)27-2/h3-11H,1-2H3,(H,22,25)
InChIKeyBNQJRDOEBQGAAY-UHFFFAOYSA-N
XLogP5.14
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.51
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]thiophene-3-carboxamide
CID 53163830
N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]-2-methylbenzamide
CID 53163764
4-fluoro-N-[2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]benzamide
CID 53163882
3-[(2-methylsulfanylpyridine-3-carbonyl)amino]thiophene-2-carboxylic acid
CID 43171778
2-methoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]pyridine-3-carboxamide
CID 90607576
2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophene-3-carbonitrile
CID 104656670
3-methoxy-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]benzamide
CID 53163713
2-chloro-5-fluoro-N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]benzamide
CID 53163782
N-methyl-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]benzamide
CID 1247975
N-(4-fluoro-2-methylphenyl)-2-methylsulfanylpyridine-3-carboxamide
CID 8866395
N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]pyrimidine-2-carboxamide
CID 90608082
3-methoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzamide
CID 90607600

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]-2-methylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]-2-methylsulfanylpyridine-3-carboxamide (CID 53163828) is N-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]-2-methylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]-2-methylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]-2-methylsulfanylpyridine-3-carboxamide is CSc1ncccc1C(=O)Nc1ccsc1-c1nc(-c2cccc(C)c2)no1.
What is the InChIKey of N-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]-2-methylsulfanylpyridine-3-carboxamide?
The InChIKey is BNQJRDOEBQGAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2S2/c1-12-5-3-6-13(11-12)17-23-19(26-24-17)16-15(8-10-28-16)22-18(25)14-7-4-9-21-20(14)27-2/h3-11H,1-2H3,(H,22,25).
What are the key properties of N-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]-2-methylsulfanylpyridine-3-carboxamide?
N-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]-2-methylsulfanylpyridine-3-carboxamide has a molecular weight of 408.51 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]-2-methylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 53163828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).