7-(4-tert-butylnaphthalen-2-yl)-2,3-dimethylthieno[2,3-c]pyridine

C23H23NS — CID 168852963

IUPAC7-(4-tert-butylnaphthalen-2-yl)-2,3-dimethylthieno[2,3-c]pyridine
SMILESCc1sc2c(-c3cc(C(C)(C)C)c4ccccc4c3)nccc2c1C
InChIInChI=1S/C23H23NS/c1-14-15(2)25-22-18(14)10-11-24-21(22)17-12-16-8-6-7-9-19(16)20(13-17)23(3,4)5/h6-13H,1-5H3
InChIKeyXWNACICWGOUPLM-UHFFFAOYSA-N
MW345.51 g/mol
LogP7.03
Rot. Bonds1

About 7-(4-tert-butylnaphthalen-2-yl)-2,3-dimethylthieno[2,3-c]pyridine

7-(4-tert-butylnaphthalen-2-yl)-2,3-dimethylthieno[2,3-c]pyridine (PubChem CID 168852963) has the molecular formula C23H23NS and a molecular weight of 345.51 g/mol. Its IUPAC name is 7-(4-tert-butylnaphthalen-2-yl)-2,3-dimethylthieno[2,3-c]pyridine.

Molecular Properties

Compound Name7-(4-tert-butylnaphthalen-2-yl)-2,3-dimethylthieno[2,3-c]pyridine
PubChem CID168852963
Molecular FormulaC23H23NS
Molecular Weight345.51 g/mol
Exact Mass345.16
IUPAC Name7-(4-tert-butylnaphthalen-2-yl)-2,3-dimethylthieno[2,3-c]pyridine
SMILESCc1sc2c(-c3cc(C(C)(C)C)c4ccccc4c3)nccc2c1C
InChIInChI=1S/C23H23NS/c1-14-15(2)25-22-18(14)10-11-24-21(22)17-12-16-8-6-7-9-19(16)20(13-17)23(3,4)5/h6-13H,1-5H3
InChIKeyXWNACICWGOUPLM-UHFFFAOYSA-N
XLogP7.03
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.51
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(4-tert-butylnaphthalen-2-yl)-2,3-dimethylthieno[2,3-c]pyridine?
The IUPAC name of 7-(4-tert-butylnaphthalen-2-yl)-2,3-dimethylthieno[2,3-c]pyridine (CID 168852963) is 7-(4-tert-butylnaphthalen-2-yl)-2,3-dimethylthieno[2,3-c]pyridine.
What is the SMILES notation for 7-(4-tert-butylnaphthalen-2-yl)-2,3-dimethylthieno[2,3-c]pyridine?
The canonical SMILES for 7-(4-tert-butylnaphthalen-2-yl)-2,3-dimethylthieno[2,3-c]pyridine is Cc1sc2c(-c3cc(C(C)(C)C)c4ccccc4c3)nccc2c1C.
What is the InChIKey of 7-(4-tert-butylnaphthalen-2-yl)-2,3-dimethylthieno[2,3-c]pyridine?
The InChIKey is XWNACICWGOUPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NS/c1-14-15(2)25-22-18(14)10-11-24-21(22)17-12-16-8-6-7-9-19(16)20(13-17)23(3,4)5/h6-13H,1-5H3.
What are the key properties of 7-(4-tert-butylnaphthalen-2-yl)-2,3-dimethylthieno[2,3-c]pyridine?
7-(4-tert-butylnaphthalen-2-yl)-2,3-dimethylthieno[2,3-c]pyridine has a molecular weight of 345.51 g/mol, XLogP of 7.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-tert-butylnaphthalen-2-yl)-2,3-dimethylthieno[2,3-c]pyridine is sourced from PubChem (CID 168852963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).