4-(4-tert-butylphenyl)-2-(2,3-difluorophenyl)thieno[3,2-c]pyridine

C23H19F2NS — CID 121382364

IUPAC4-(4-tert-butylphenyl)-2-(2,3-difluorophenyl)thieno[3,2-c]pyridine
SMILESCC(C)(C)c1ccc(-c2nccc3sc(-c4cccc(F)c4F)cc23)cc1
InChIInChI=1S/C23H19F2NS/c1-23(2,3)15-9-7-14(8-10-15)22-17-13-20(27-19(17)11-12-26-22)16-5-4-6-18(24)21(16)25/h4-13H,1-3H3
InChIKeyNXQZRJSZRMTVCK-UHFFFAOYSA-N
MW379.48 g/mol
LogP7.21
Rot. Bonds2

About 4-(4-tert-butylphenyl)-2-(2,3-difluorophenyl)thieno[3,2-c]pyridine

4-(4-tert-butylphenyl)-2-(2,3-difluorophenyl)thieno[3,2-c]pyridine (PubChem CID 121382364) has the molecular formula C23H19F2NS and a molecular weight of 379.48 g/mol. Its IUPAC name is 4-(4-tert-butylphenyl)-2-(2,3-difluorophenyl)thieno[3,2-c]pyridine.

Molecular Properties

Compound Name4-(4-tert-butylphenyl)-2-(2,3-difluorophenyl)thieno[3,2-c]pyridine
PubChem CID121382364
Molecular FormulaC23H19F2NS
Molecular Weight379.48 g/mol
Exact Mass379.12
IUPAC Name4-(4-tert-butylphenyl)-2-(2,3-difluorophenyl)thieno[3,2-c]pyridine
SMILESCC(C)(C)c1ccc(-c2nccc3sc(-c4cccc(F)c4F)cc23)cc1
InChIInChI=1S/C23H19F2NS/c1-23(2,3)15-9-7-14(8-10-15)22-17-13-20(27-19(17)11-12-26-22)16-5-4-6-18(24)21(16)25/h4-13H,1-3H3
InChIKeyNXQZRJSZRMTVCK-UHFFFAOYSA-N
XLogP7.21
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.48
LogP ≤ 57.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenyl)-2-(2,3-difluorophenyl)thieno[3,2-c]pyridine?
The IUPAC name of 4-(4-tert-butylphenyl)-2-(2,3-difluorophenyl)thieno[3,2-c]pyridine (CID 121382364) is 4-(4-tert-butylphenyl)-2-(2,3-difluorophenyl)thieno[3,2-c]pyridine.
What is the SMILES notation for 4-(4-tert-butylphenyl)-2-(2,3-difluorophenyl)thieno[3,2-c]pyridine?
The canonical SMILES for 4-(4-tert-butylphenyl)-2-(2,3-difluorophenyl)thieno[3,2-c]pyridine is CC(C)(C)c1ccc(-c2nccc3sc(-c4cccc(F)c4F)cc23)cc1.
What is the InChIKey of 4-(4-tert-butylphenyl)-2-(2,3-difluorophenyl)thieno[3,2-c]pyridine?
The InChIKey is NXQZRJSZRMTVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2NS/c1-23(2,3)15-9-7-14(8-10-15)22-17-13-20(27-19(17)11-12-26-22)16-5-4-6-18(24)21(16)25/h4-13H,1-3H3.
What are the key properties of 4-(4-tert-butylphenyl)-2-(2,3-difluorophenyl)thieno[3,2-c]pyridine?
4-(4-tert-butylphenyl)-2-(2,3-difluorophenyl)thieno[3,2-c]pyridine has a molecular weight of 379.48 g/mol, XLogP of 7.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenyl)-2-(2,3-difluorophenyl)thieno[3,2-c]pyridine is sourced from PubChem (CID 121382364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).