4-(4-tert-butylphenyl)-2-(3,5-difluorophenyl)thieno[3,2-c]pyridine

C23H19F2NS — CID 121382367

IUPAC4-(4-tert-butylphenyl)-2-(3,5-difluorophenyl)thieno[3,2-c]pyridine
SMILESCC(C)(C)c1ccc(-c2nccc3sc(-c4cc(F)cc(F)c4)cc23)cc1
InChIInChI=1S/C23H19F2NS/c1-23(2,3)16-6-4-14(5-7-16)22-19-13-21(27-20(19)8-9-26-22)15-10-17(24)12-18(25)11-15/h4-13H,1-3H3
InChIKeyFAIYQADPKFOJJR-UHFFFAOYSA-N
MW379.48 g/mol
LogP7.21
Rot. Bonds2

About 4-(4-tert-butylphenyl)-2-(3,5-difluorophenyl)thieno[3,2-c]pyridine

4-(4-tert-butylphenyl)-2-(3,5-difluorophenyl)thieno[3,2-c]pyridine (PubChem CID 121382367) has the molecular formula C23H19F2NS and a molecular weight of 379.48 g/mol. Its IUPAC name is 4-(4-tert-butylphenyl)-2-(3,5-difluorophenyl)thieno[3,2-c]pyridine.

Molecular Properties

Compound Name4-(4-tert-butylphenyl)-2-(3,5-difluorophenyl)thieno[3,2-c]pyridine
PubChem CID121382367
Molecular FormulaC23H19F2NS
Molecular Weight379.48 g/mol
Exact Mass379.12
IUPAC Name4-(4-tert-butylphenyl)-2-(3,5-difluorophenyl)thieno[3,2-c]pyridine
SMILESCC(C)(C)c1ccc(-c2nccc3sc(-c4cc(F)cc(F)c4)cc23)cc1
InChIInChI=1S/C23H19F2NS/c1-23(2,3)16-6-4-14(5-7-16)22-19-13-21(27-20(19)8-9-26-22)15-10-17(24)12-18(25)11-15/h4-13H,1-3H3
InChIKeyFAIYQADPKFOJJR-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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Related Compounds

dimethyl(3-{3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indol-1-yl}propyl)amine
CID 5329367
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5-Fluoro-3-thiophen-3-yl-quinoline
CID 10421346
(-)-(R)-2-(1-(2-(2-(azetidin-1-yl)ethyl)benzo[b]thiophen-3-yl)ethyl)pyridine
CID 46884063
6,7-Difluoro-3-thiophen-3-yl-quinoline
CID 10106010
(-)-(R)-2-(3-(1-(5-fluoropyridin-2-yl)ethyl)benzo[b]thiophen-2-yl)-N,N-dimethylethanamine
CID 11493620
(-)-(R)-N,N-dimethyl-2-(3-(1-(3-methylpyridin-2-yl)ethyl)benzo[b]thiophen-2-yl)ethanamine
CID 11500781
(-)-(R)-2-(1-(2-(2-(pyrrolidin-1-yl)ethyl)benzo[b]thiophen-3-yl)ethyl)pyridine
CID 11508317
(+)-(S)-N,N-dimethyl-2-(3-(1-(pyridin-3-yl)ethyl)benzo[b]thiophen-2-yl)ethanamine
CID 11515125
(+)-(S)-N,N-dimethyl-2-(3-(1-(pyridin-2-yl)ethyl)benzo[b]thiophen-2-yl)ethanamine
CID 11551351
Benzo[B]thiophene-2-ethanamine, N,N-dimethyl-3-[1-(2-pyridinyl)ethyl]-
CID 11580426
Benzo(b)thiophene-2-ethanamine, N,N-dimethyl-3-((1R)-1-(2-pyridinyl)ethyl)-
CID 11580427

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenyl)-2-(3,5-difluorophenyl)thieno[3,2-c]pyridine?
The IUPAC name of 4-(4-tert-butylphenyl)-2-(3,5-difluorophenyl)thieno[3,2-c]pyridine (CID 121382367) is 4-(4-tert-butylphenyl)-2-(3,5-difluorophenyl)thieno[3,2-c]pyridine.
What is the SMILES notation for 4-(4-tert-butylphenyl)-2-(3,5-difluorophenyl)thieno[3,2-c]pyridine?
The canonical SMILES for 4-(4-tert-butylphenyl)-2-(3,5-difluorophenyl)thieno[3,2-c]pyridine is CC(C)(C)c1ccc(-c2nccc3sc(-c4cc(F)cc(F)c4)cc23)cc1.
What is the InChIKey of 4-(4-tert-butylphenyl)-2-(3,5-difluorophenyl)thieno[3,2-c]pyridine?
The InChIKey is FAIYQADPKFOJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2NS/c1-23(2,3)16-6-4-14(5-7-16)22-19-13-21(27-20(19)8-9-26-22)15-10-17(24)12-18(25)11-15/h4-13H,1-3H3.
What are the key properties of 4-(4-tert-butylphenyl)-2-(3,5-difluorophenyl)thieno[3,2-c]pyridine?
4-(4-tert-butylphenyl)-2-(3,5-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-(3,5-difluorophenyl)thieno[3,2-c]pyridine is sourced from PubChem (CID 121382367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).