4-(4,5-dimethylthiophen-2-yl)-2-thiophen-3-ylpyridine

C15H13NS2 — CID 90289832

IUPAC4-(4,5-dimethylthiophen-2-yl)-2-thiophen-3-ylpyridine
SMILESCc1cc(-c2ccnc(-c3ccsc3)c2)sc1C
InChIInChI=1S/C15H13NS2/c1-10-7-15(18-11(10)2)12-3-5-16-14(8-12)13-4-6-17-9-13/h3-9H,1-2H3
InChIKeyKAXDPOJMRSGDHS-UHFFFAOYSA-N
MW271.41 g/mol
LogP5.16
Rot. Bonds2

About 4-(4,5-dimethylthiophen-2-yl)-2-thiophen-3-ylpyridine

4-(4,5-dimethylthiophen-2-yl)-2-thiophen-3-ylpyridine (PubChem CID 90289832) has the molecular formula C15H13NS2 and a molecular weight of 271.41 g/mol. Its IUPAC name is 4-(4,5-dimethylthiophen-2-yl)-2-thiophen-3-ylpyridine.

Molecular Properties

Compound Name4-(4,5-dimethylthiophen-2-yl)-2-thiophen-3-ylpyridine
PubChem CID90289832
Molecular FormulaC15H13NS2
Molecular Weight271.41 g/mol
Exact Mass271.05
IUPAC Name4-(4,5-dimethylthiophen-2-yl)-2-thiophen-3-ylpyridine
SMILESCc1cc(-c2ccnc(-c3ccsc3)c2)sc1C
InChIInChI=1S/C15H13NS2/c1-10-7-15(18-11(10)2)12-3-5-16-14(8-12)13-4-6-17-9-13/h3-9H,1-2H3
InChIKeyKAXDPOJMRSGDHS-UHFFFAOYSA-N
XLogP5.16
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.41
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dimethylthiophen-2-yl)-2-thiophen-3-ylpyridine?
The IUPAC name of 4-(4,5-dimethylthiophen-2-yl)-2-thiophen-3-ylpyridine (CID 90289832) is 4-(4,5-dimethylthiophen-2-yl)-2-thiophen-3-ylpyridine.
What is the SMILES notation for 4-(4,5-dimethylthiophen-2-yl)-2-thiophen-3-ylpyridine?
The canonical SMILES for 4-(4,5-dimethylthiophen-2-yl)-2-thiophen-3-ylpyridine is Cc1cc(-c2ccnc(-c3ccsc3)c2)sc1C.
What is the InChIKey of 4-(4,5-dimethylthiophen-2-yl)-2-thiophen-3-ylpyridine?
The InChIKey is KAXDPOJMRSGDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NS2/c1-10-7-15(18-11(10)2)12-3-5-16-14(8-12)13-4-6-17-9-13/h3-9H,1-2H3.
What are the key properties of 4-(4,5-dimethylthiophen-2-yl)-2-thiophen-3-ylpyridine?
4-(4,5-dimethylthiophen-2-yl)-2-thiophen-3-ylpyridine has a molecular weight of 271.41 g/mol, XLogP of 5.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dimethylthiophen-2-yl)-2-thiophen-3-ylpyridine is sourced from PubChem (CID 90289832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).