6-(4-methylphenyl)-4,7-dithiophen-2-yl-[1,2,5]oxadiazolo[3,4-c]pyridine

C20H13N3OS2 — CID 101079805

IUPAC6-(4-methylphenyl)-4,7-dithiophen-2-yl-[1,2,5]oxadiazolo[3,4-c]pyridine
SMILESCc1ccc(-c2nc(-c3cccs3)c3nonc3c2-c2cccs2)cc1
InChIInChI=1S/C20H13N3OS2/c1-12-6-8-13(9-7-12)17-16(14-4-2-10-25-14)19-20(23-24-22-19)18(21-17)15-5-3-11-26-15/h2-11H,1H3
InChIKeyMJVQPWIWRNBQMY-UHFFFAOYSA-N
MW375.48 g/mol
LogP6.05
Rot. Bonds3

About 6-(4-methylphenyl)-4,7-dithiophen-2-yl-[1,2,5]oxadiazolo[3,4-c]pyridine

6-(4-methylphenyl)-4,7-dithiophen-2-yl-[1,2,5]oxadiazolo[3,4-c]pyridine (PubChem CID 101079805) has the molecular formula C20H13N3OS2 and a molecular weight of 375.48 g/mol. Its IUPAC name is 6-(4-methylphenyl)-4,7-dithiophen-2-yl-[1,2,5]oxadiazolo[3,4-c]pyridine.

Molecular Properties

Compound Name6-(4-methylphenyl)-4,7-dithiophen-2-yl-[1,2,5]oxadiazolo[3,4-c]pyridine
PubChem CID101079805
Molecular FormulaC20H13N3OS2
Molecular Weight375.48 g/mol
Exact Mass375.05
IUPAC Name6-(4-methylphenyl)-4,7-dithiophen-2-yl-[1,2,5]oxadiazolo[3,4-c]pyridine
SMILESCc1ccc(-c2nc(-c3cccs3)c3nonc3c2-c2cccs2)cc1
InChIInChI=1S/C20H13N3OS2/c1-12-6-8-13(9-7-12)17-16(14-4-2-10-25-14)19-20(23-24-22-19)18(21-17)15-5-3-11-26-15/h2-11H,1H3
InChIKeyMJVQPWIWRNBQMY-UHFFFAOYSA-N
XLogP6.05
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.48
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-(4-methylphenyl)-4,7-dithiophen-2-yl-[1,2,5]oxadiazolo[3,4-c]pyridine with MolForge

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Related Compounds

4-methyl-N-(4-thiophen-2-yl-1,2,5-oxadiazol-3-yl)benzamide
CID 7711079
5-fluoro-4,7-dithiophen-2-yl-2,1,3-benzoxadiazole
CID 129229165
6-(4-methylphenyl)-2,3-dithiophen-2-ylimidazo[1,2-b][1,2,4]triazine
CID 46952094
2,6-dimethyl-4,8-dithiophen-2-yl-[1,3]thiazolo[5,4-f][1,3]benzothiazole
CID 102344435
N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 134012645
6,7-dimethyl-4,9-dithiophen-2-yl-[1,2,5]thiadiazolo[3,4-g]quinoxaline
CID 50992957
4,9-dimethyl-6,7-dithiophen-2-yl-[1,2,5]thiadiazolo[3,4-g]quinoxaline
CID 164741343
2-(2,6-dimethylphenyl)thiophene
CID 58838883
3-pyridin-4-yl-4-thiophen-2-yl-1,2-oxazol-5-amine
CID 62500884
(E)-3-(6-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid
CID 39195917
7-(4-bromophenyl)-4-thiophen-2-yl-[1,2]oxazolo[3,4-d]pyridazine
CID 1214555
3-(3-bromo-5-methylphenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine
CID 104853233

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylphenyl)-4,7-dithiophen-2-yl-[1,2,5]oxadiazolo[3,4-c]pyridine?
The IUPAC name of 6-(4-methylphenyl)-4,7-dithiophen-2-yl-[1,2,5]oxadiazolo[3,4-c]pyridine (CID 101079805) is 6-(4-methylphenyl)-4,7-dithiophen-2-yl-[1,2,5]oxadiazolo[3,4-c]pyridine.
What is the SMILES notation for 6-(4-methylphenyl)-4,7-dithiophen-2-yl-[1,2,5]oxadiazolo[3,4-c]pyridine?
The canonical SMILES for 6-(4-methylphenyl)-4,7-dithiophen-2-yl-[1,2,5]oxadiazolo[3,4-c]pyridine is Cc1ccc(-c2nc(-c3cccs3)c3nonc3c2-c2cccs2)cc1.
What is the InChIKey of 6-(4-methylphenyl)-4,7-dithiophen-2-yl-[1,2,5]oxadiazolo[3,4-c]pyridine?
The InChIKey is MJVQPWIWRNBQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N3OS2/c1-12-6-8-13(9-7-12)17-16(14-4-2-10-25-14)19-20(23-24-22-19)18(21-17)15-5-3-11-26-15/h2-11H,1H3.
What are the key properties of 6-(4-methylphenyl)-4,7-dithiophen-2-yl-[1,2,5]oxadiazolo[3,4-c]pyridine?
6-(4-methylphenyl)-4,7-dithiophen-2-yl-[1,2,5]oxadiazolo[3,4-c]pyridine has a molecular weight of 375.48 g/mol, XLogP of 6.05, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylphenyl)-4,7-dithiophen-2-yl-[1,2,5]oxadiazolo[3,4-c]pyridine is sourced from PubChem (CID 101079805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).