3,5-dichloro-2-methylthiophene;3-(5-methylthiophen-2-yl)-1,2-oxazole;2-(5-methylthiophen-2-yl)pyridine

C23H20Cl2N2OS3 — CID 142973875

IUPAC3,5-dichloro-2-methylthiophene;3-(5-methylthiophen-2-yl)-1,2-oxazole;2-(5-methylthiophen-2-yl)pyridine
SMILESCc1ccc(-c2ccccn2)s1.Cc1ccc(-c2ccon2)s1.Cc1sc(Cl)cc1Cl
InChIInChI=1S/C10H9NS.C8H7NOS.C5H4Cl2S/c1-8-5-6-10(12-8)9-4-2-3-7-11-9;1-6-2-3-8(11-6)7-4-5-10-9-7;1-3-4(6)2-5(7)8-3/h2-7H,1H3;2-5H,1H3;2H,1H3
InChIKeyXWUVIZQXUXWDLC-UHFFFAOYSA-N
MW507.53 g/mol
LogP9.19
Rot. Bonds2

About 3,5-dichloro-2-methylthiophene;3-(5-methylthiophen-2-yl)-1,2-oxazole;2-(5-methylthiophen-2-yl)pyridine

3,5-dichloro-2-methylthiophene;3-(5-methylthiophen-2-yl)-1,2-oxazole;2-(5-methylthiophen-2-yl)pyridine (PubChem CID 142973875) has the molecular formula C23H20Cl2N2OS3 and a molecular weight of 507.53 g/mol. Its IUPAC name is 3,5-dichloro-2-methylthiophene;3-(5-methylthiophen-2-yl)-1,2-oxazole;2-(5-methylthiophen-2-yl)pyridine.

Molecular Properties

Compound Name3,5-dichloro-2-methylthiophene;3-(5-methylthiophen-2-yl)-1,2-oxazole;2-(5-methylthiophen-2-yl)pyridine
PubChem CID142973875
Molecular FormulaC23H20Cl2N2OS3
Molecular Weight507.53 g/mol
Exact Mass506.01
IUPAC Name3,5-dichloro-2-methylthiophene;3-(5-methylthiophen-2-yl)-1,2-oxazole;2-(5-methylthiophen-2-yl)pyridine
SMILESCc1ccc(-c2ccccn2)s1.Cc1ccc(-c2ccon2)s1.Cc1sc(Cl)cc1Cl
InChIInChI=1S/C10H9NS.C8H7NOS.C5H4Cl2S/c1-8-5-6-10(12-8)9-4-2-3-7-11-9;1-6-2-3-8(11-6)7-4-5-10-9-7;1-3-4(6)2-5(7)8-3/h2-7H,1H3;2-5H,1H3;2H,1H3
InChIKeyXWUVIZQXUXWDLC-UHFFFAOYSA-N
XLogP9.19
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.53
LogP ≤ 59.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-methylthiophene;3-(5-methylthiophen-2-yl)-1,2-oxazole;2-(5-methylthiophen-2-yl)pyridine?
The IUPAC name of 3,5-dichloro-2-methylthiophene;3-(5-methylthiophen-2-yl)-1,2-oxazole;2-(5-methylthiophen-2-yl)pyridine (CID 142973875) is 3,5-dichloro-2-methylthiophene;3-(5-methylthiophen-2-yl)-1,2-oxazole;2-(5-methylthiophen-2-yl)pyridine.
What is the SMILES notation for 3,5-dichloro-2-methylthiophene;3-(5-methylthiophen-2-yl)-1,2-oxazole;2-(5-methylthiophen-2-yl)pyridine?
The canonical SMILES for 3,5-dichloro-2-methylthiophene;3-(5-methylthiophen-2-yl)-1,2-oxazole;2-(5-methylthiophen-2-yl)pyridine is Cc1ccc(-c2ccccn2)s1.Cc1ccc(-c2ccon2)s1.Cc1sc(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-2-methylthiophene;3-(5-methylthiophen-2-yl)-1,2-oxazole;2-(5-methylthiophen-2-yl)pyridine?
The InChIKey is XWUVIZQXUXWDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NS.C8H7NOS.C5H4Cl2S/c1-8-5-6-10(12-8)9-4-2-3-7-11-9;1-6-2-3-8(11-6)7-4-5-10-9-7;1-3-4(6)2-5(7)8-3/h2-7H,1H3;2-5H,1H3;2H,1H3.
What are the key properties of 3,5-dichloro-2-methylthiophene;3-(5-methylthiophen-2-yl)-1,2-oxazole;2-(5-methylthiophen-2-yl)pyridine?
3,5-dichloro-2-methylthiophene;3-(5-methylthiophen-2-yl)-1,2-oxazole;2-(5-methylthiophen-2-yl)pyridine has a molecular weight of 507.53 g/mol, XLogP of 9.19, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-methylthiophene;3-(5-methylthiophen-2-yl)-1,2-oxazole;2-(5-methylthiophen-2-yl)pyridine is sourced from PubChem (CID 142973875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).