2,5-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]pyrazine

C26H14F6N2S2 — CID 101376445

IUPAC2,5-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]pyrazine
SMILESFC(F)(F)c1ccc(-c2ccc(-c3cnc(-c4ccc(-c5ccc(C(F)(F)F)cc5)s4)cn3)s2)cc1
InChIInChI=1S/C26H14F6N2S2/c27-25(28,29)17-5-1-15(2-6-17)21-9-11-23(35-21)19-13-34-20(14-33-19)24-12-10-22(36-24)16-3-7-18(8-4-16)26(30,31)32/h1-14H
InChIKeyHWDSOFLVFNATRI-UHFFFAOYSA-N
MW532.53 g/mol
LogP9.31
Rot. Bonds4

About 2,5-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]pyrazine

2,5-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]pyrazine (PubChem CID 101376445) has the molecular formula C26H14F6N2S2 and a molecular weight of 532.53 g/mol. Its IUPAC name is 2,5-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]pyrazine.

Molecular Properties

Compound Name2,5-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]pyrazine
PubChem CID101376445
Molecular FormulaC26H14F6N2S2
Molecular Weight532.53 g/mol
Exact Mass532.05
IUPAC Name2,5-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]pyrazine
SMILESFC(F)(F)c1ccc(-c2ccc(-c3cnc(-c4ccc(-c5ccc(C(F)(F)F)cc5)s4)cn3)s2)cc1
InChIInChI=1S/C26H14F6N2S2/c27-25(28,29)17-5-1-15(2-6-17)21-9-11-23(35-21)19-13-34-20(14-33-19)24-12-10-22(36-24)16-3-7-18(8-4-16)26(30,31)32/h1-14H
InChIKeyHWDSOFLVFNATRI-UHFFFAOYSA-N
XLogP9.31
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.53
LogP ≤ 59.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-Dipyridin-2-yl-4-thiophen-2-ylpyridine
CID 850136
2,3,5,6-Tetrafluoro-4-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]pyridine
CID 118911846
2-Pyridin-4-yl-4,6-dithiophen-2-ylpyridine
CID 16750521
Phenyl 4-(4-fluorophenyl)-5-pyridin-4-yltriazole-2-carbodithioate
CID 44290413
2-Pyridin-2-yl-6-thiophen-2-yl-4-thiophen-3-ylpyridine
CID 44423804
2-Pyridin-4-yl-6-thiophen-2-yl-4-thiophen-3-ylpyridine
CID 44423805
2-Pyridin-4-yl-4-thiophen-2-yl-6-thiophen-3-ylpyridine
CID 44423832
2-Pyridin-4-yl-4,6-di(thiophen-3-yl)pyridine
CID 44423833
2-Pyridin-3-yl-6-thiophen-2-yl-4-thiophen-3-ylpyridine
CID 44423835
3-Methyl-1-[2-(3-thiophen-3-ylphenyl)ethynyl]-7-(trifluoromethyl)pyrrolo[1,2-a]pyrazine
CID 44453246
4-Thiophen-3-yl-2-[4-(trifluoromethyl)phenyl]-1,5-naphthyridine
CID 145950672
2-(4-Fluorophenyl)-4-thiophen-3-yl-1,5-naphthyridine
CID 145974823

Frequently Asked Questions

What is the IUPAC name of 2,5-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]pyrazine?
The IUPAC name of 2,5-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]pyrazine (CID 101376445) is 2,5-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]pyrazine.
What is the SMILES notation for 2,5-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]pyrazine?
The canonical SMILES for 2,5-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]pyrazine is FC(F)(F)c1ccc(-c2ccc(-c3cnc(-c4ccc(-c5ccc(C(F)(F)F)cc5)s4)cn3)s2)cc1.
What is the InChIKey of 2,5-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]pyrazine?
The InChIKey is HWDSOFLVFNATRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H14F6N2S2/c27-25(28,29)17-5-1-15(2-6-17)21-9-11-23(35-21)19-13-34-20(14-33-19)24-12-10-22(36-24)16-3-7-18(8-4-16)26(30,31)32/h1-14H.
What are the key properties of 2,5-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]pyrazine?
2,5-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]pyrazine has a molecular weight of 532.53 g/mol, XLogP of 9.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]pyrazine is sourced from PubChem (CID 101376445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).