4-(4-tert-butyl-2-propan-2-ylphenyl)-2-(2,4-difluorophenyl)thieno[3,2-c]pyridine

C26H25F2NS — CID 134443504

IUPAC4-(4-tert-butyl-2-propan-2-ylphenyl)-2-(2,4-difluorophenyl)thieno[3,2-c]pyridine
SMILESCC(C)c1cc(C(C)(C)C)ccc1-c1nccc2sc(-c3ccc(F)cc3F)cc12
InChIInChI=1S/C26H25F2NS/c1-15(2)20-12-16(26(3,4)5)6-8-18(20)25-21-14-24(30-23(21)10-11-29-25)19-9-7-17(27)13-22(19)28/h6-15H,1-5H3
InChIKeyDTISNOCTONTLMM-UHFFFAOYSA-N
MW421.56 g/mol
LogP8.33
Rot. Bonds3

About 4-(4-tert-butyl-2-propan-2-ylphenyl)-2-(2,4-difluorophenyl)thieno[3,2-c]pyridine

4-(4-tert-butyl-2-propan-2-ylphenyl)-2-(2,4-difluorophenyl)thieno[3,2-c]pyridine (PubChem CID 134443504) has the molecular formula C26H25F2NS and a molecular weight of 421.56 g/mol. Its IUPAC name is 4-(4-tert-butyl-2-propan-2-ylphenyl)-2-(2,4-difluorophenyl)thieno[3,2-c]pyridine.

Molecular Properties

Compound Name4-(4-tert-butyl-2-propan-2-ylphenyl)-2-(2,4-difluorophenyl)thieno[3,2-c]pyridine
PubChem CID134443504
Molecular FormulaC26H25F2NS
Molecular Weight421.56 g/mol
Exact Mass421.17
IUPAC Name4-(4-tert-butyl-2-propan-2-ylphenyl)-2-(2,4-difluorophenyl)thieno[3,2-c]pyridine
SMILESCC(C)c1cc(C(C)(C)C)ccc1-c1nccc2sc(-c3ccc(F)cc3F)cc12
InChIInChI=1S/C26H25F2NS/c1-15(2)20-12-16(26(3,4)5)6-8-18(20)25-21-14-24(30-23(21)10-11-29-25)19-9-7-17(27)13-22(19)28/h6-15H,1-5H3
InChIKeyDTISNOCTONTLMM-UHFFFAOYSA-N
XLogP8.33
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.56
LogP ≤ 58.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butyl-2-propan-2-ylphenyl)-2-(2,4-difluorophenyl)thieno[3,2-c]pyridine?
The IUPAC name of 4-(4-tert-butyl-2-propan-2-ylphenyl)-2-(2,4-difluorophenyl)thieno[3,2-c]pyridine (CID 134443504) is 4-(4-tert-butyl-2-propan-2-ylphenyl)-2-(2,4-difluorophenyl)thieno[3,2-c]pyridine.
What is the SMILES notation for 4-(4-tert-butyl-2-propan-2-ylphenyl)-2-(2,4-difluorophenyl)thieno[3,2-c]pyridine?
The canonical SMILES for 4-(4-tert-butyl-2-propan-2-ylphenyl)-2-(2,4-difluorophenyl)thieno[3,2-c]pyridine is CC(C)c1cc(C(C)(C)C)ccc1-c1nccc2sc(-c3ccc(F)cc3F)cc12.
What is the InChIKey of 4-(4-tert-butyl-2-propan-2-ylphenyl)-2-(2,4-difluorophenyl)thieno[3,2-c]pyridine?
The InChIKey is DTISNOCTONTLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F2NS/c1-15(2)20-12-16(26(3,4)5)6-8-18(20)25-21-14-24(30-23(21)10-11-29-25)19-9-7-17(27)13-22(19)28/h6-15H,1-5H3.
What are the key properties of 4-(4-tert-butyl-2-propan-2-ylphenyl)-2-(2,4-difluorophenyl)thieno[3,2-c]pyridine?
4-(4-tert-butyl-2-propan-2-ylphenyl)-2-(2,4-difluorophenyl)thieno[3,2-c]pyridine has a molecular weight of 421.56 g/mol, XLogP of 8.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butyl-2-propan-2-ylphenyl)-2-(2,4-difluorophenyl)thieno[3,2-c]pyridine is sourced from PubChem (CID 134443504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).