5-[3,3,4,4,5,5-hexafluoro-2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)cyclopenten-1-yl]-4-methyl-2-phenyl-1,3-thiazole

C25H16F6N2S2 — CID 15363741

IUPAC5-[3,3,4,4,5,5-hexafluoro-2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)cyclopenten-1-yl]-4-methyl-2-phenyl-1,3-thiazole
SMILESCc1nc(-c2ccccc2)sc1C1=C(c2sc(-c3ccccc3)nc2C)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C25H16F6N2S2/c1-13-19(34-21(32-13)15-9-5-3-6-10-15)17-18(24(28,29)25(30,31)23(17,26)27)20-14(2)33-22(35-20)16-11-7-4-8-12-16/h3-12H,1-2H3
InChIKeyZPTKXWAHNABETH-UHFFFAOYSA-N
MW522.54 g/mol
LogP8.38
Rot. Bonds4

About 5-[3,3,4,4,5,5-hexafluoro-2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)cyclopenten-1-yl]-4-methyl-2-phenyl-1,3-thiazole

5-[3,3,4,4,5,5-hexafluoro-2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)cyclopenten-1-yl]-4-methyl-2-phenyl-1,3-thiazole (PubChem CID 15363741) has the molecular formula C25H16F6N2S2 and a molecular weight of 522.54 g/mol. Its IUPAC name is 5-[3,3,4,4,5,5-hexafluoro-2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)cyclopenten-1-yl]-4-methyl-2-phenyl-1,3-thiazole.

Molecular Properties

Compound Name5-[3,3,4,4,5,5-hexafluoro-2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)cyclopenten-1-yl]-4-methyl-2-phenyl-1,3-thiazole
PubChem CID15363741
Molecular FormulaC25H16F6N2S2
Molecular Weight522.54 g/mol
Exact Mass522.07
IUPAC Name5-[3,3,4,4,5,5-hexafluoro-2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)cyclopenten-1-yl]-4-methyl-2-phenyl-1,3-thiazole
SMILESCc1nc(-c2ccccc2)sc1C1=C(c2sc(-c3ccccc3)nc2C)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C25H16F6N2S2/c1-13-19(34-21(32-13)15-9-5-3-6-10-15)17-18(24(28,29)25(30,31)23(17,26)27)20-14(2)33-22(35-20)16-11-7-4-8-12-16/h3-12H,1-2H3
InChIKeyZPTKXWAHNABETH-UHFFFAOYSA-N
XLogP8.38
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.54
LogP ≤ 58.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 5-[3,3,4,4,5,5-hexafluoro-2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)cyclopenten-1-yl]-4-methyl-2-phenyl-1,3-thiazole with MolForge

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Related Compounds

2-Methyl-4,5-diphenylthiazole
CID 77365
3-Ethyl-2-methyl-4,5-diphenyl-1,3-thiazol-3-ium iodide
CID 16194442
2-(Trifluoromethyl)-4-(4-fluorophenyl)-5-[4-(methylsulfonyl)phenyl]thiazole
CID 10157862
2-(Trifluoromethyl)-4-[4-(methylsulfonyl)phenyl]-5-(4-fluorophenyl)thiazole
CID 10294458
Thiazole, triphenyl-
CID 1712256
1,2-Bis(5-methyl-2-phenyl-4-thiazolyl)perfluorocyclopentene
CID 15363739
3-Ethyl-2-methyl-4,5-diphenyl-1,3-thiazol-3-ium
CID 2783627
Thiazole, 4,5-diphenyl-2-(trifluoromethyl)-
CID 13015386
1-(2-Methyl-5-phenyl-3-thienyl)-2-(2-phenyl-5-methyl-4-thiazolyl)-3,3,4,4,5,5-hexafluorocyclopentene
CID 16753236
4-(4,5-Diphenyl-thiazol-2-yl)-5-methylsulfanyl-thiophene-2-carboxamidine
CID 18537081
4-Methyl-2,5-diphenyl-1,3-thiazole
CID 8962252
4-[4-[4-[4-(Trifluoromethyl)phenyl]-1,3-thiazol-2-yl]phenyl]thiadiazole
CID 2742422

Frequently Asked Questions

What is the IUPAC name of 5-[3,3,4,4,5,5-hexafluoro-2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)cyclopenten-1-yl]-4-methyl-2-phenyl-1,3-thiazole?
The IUPAC name of 5-[3,3,4,4,5,5-hexafluoro-2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)cyclopenten-1-yl]-4-methyl-2-phenyl-1,3-thiazole (CID 15363741) is 5-[3,3,4,4,5,5-hexafluoro-2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)cyclopenten-1-yl]-4-methyl-2-phenyl-1,3-thiazole.
What is the SMILES notation for 5-[3,3,4,4,5,5-hexafluoro-2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)cyclopenten-1-yl]-4-methyl-2-phenyl-1,3-thiazole?
The canonical SMILES for 5-[3,3,4,4,5,5-hexafluoro-2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)cyclopenten-1-yl]-4-methyl-2-phenyl-1,3-thiazole is Cc1nc(-c2ccccc2)sc1C1=C(c2sc(-c3ccccc3)nc2C)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 5-[3,3,4,4,5,5-hexafluoro-2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)cyclopenten-1-yl]-4-methyl-2-phenyl-1,3-thiazole?
The InChIKey is ZPTKXWAHNABETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16F6N2S2/c1-13-19(34-21(32-13)15-9-5-3-6-10-15)17-18(24(28,29)25(30,31)23(17,26)27)20-14(2)33-22(35-20)16-11-7-4-8-12-16/h3-12H,1-2H3.
What are the key properties of 5-[3,3,4,4,5,5-hexafluoro-2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)cyclopenten-1-yl]-4-methyl-2-phenyl-1,3-thiazole?
5-[3,3,4,4,5,5-hexafluoro-2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)cyclopenten-1-yl]-4-methyl-2-phenyl-1,3-thiazole has a molecular weight of 522.54 g/mol, XLogP of 8.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3,3,4,4,5,5-hexafluoro-2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)cyclopenten-1-yl]-4-methyl-2-phenyl-1,3-thiazole is sourced from PubChem (CID 15363741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).