2-[6-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-1-benzofuran-3-yl)cyclopenten-1-yl]-3,5-dimethyl-2-pyridinyl]-1,3-thiazole

C24H16F6N2OS — CID 132533196

IUPAC2-[6-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-1-benzofuran-3-yl)cyclopenten-1-yl]-3,5-dimethyl-2-pyridinyl]-1,3-thiazole
SMILESCc1cc(C)c(-c2nccs2)nc1C1=C(c2c(C)oc3ccccc23)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C24H16F6N2OS/c1-11-10-12(2)20(21-31-8-9-34-21)32-19(11)18-17(22(25,26)24(29,30)23(18,27)28)16-13(3)33-15-7-5-4-6-14(15)16/h4-10H,1-3H3
InChIKeyZSROCMSUYQTPNI-UHFFFAOYSA-N
MW494.46 g/mol
LogP7.71
Rot. Bonds3

About 2-[6-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-1-benzofuran-3-yl)cyclopenten-1-yl]-3,5-dimethyl-2-pyridinyl]-1,3-thiazole

2-[6-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-1-benzofuran-3-yl)cyclopenten-1-yl]-3,5-dimethyl-2-pyridinyl]-1,3-thiazole (PubChem CID 132533196) has the molecular formula C24H16F6N2OS and a molecular weight of 494.46 g/mol. Its IUPAC name is 2-[6-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-1-benzofuran-3-yl)cyclopenten-1-yl]-3,5-dimethyl-2-pyridinyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[6-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-1-benzofuran-3-yl)cyclopenten-1-yl]-3,5-dimethyl-2-pyridinyl]-1,3-thiazole
PubChem CID132533196
Molecular FormulaC24H16F6N2OS
Molecular Weight494.46 g/mol
Exact Mass494.09
IUPAC Name2-[6-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-1-benzofuran-3-yl)cyclopenten-1-yl]-3,5-dimethyl-2-pyridinyl]-1,3-thiazole
SMILESCc1cc(C)c(-c2nccs2)nc1C1=C(c2c(C)oc3ccccc23)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C24H16F6N2OS/c1-11-10-12(2)20(21-31-8-9-34-21)32-19(11)18-17(22(25,26)24(29,30)23(18,27)28)16-13(3)33-15-7-5-4-6-14(15)16/h4-10H,1-3H3
InChIKeyZSROCMSUYQTPNI-UHFFFAOYSA-N
XLogP7.71
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.46
LogP ≤ 57.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[6-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-1-benzofuran-3-yl)cyclopenten-1-yl]-3,5-dimethyl-2-pyridinyl]-1,3-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-1-benzofuran-3-yl)cyclopenten-1-yl]-3,5-dimethyl-2-pyridinyl]-1,3-thiazole?
The IUPAC name of 2-[6-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-1-benzofuran-3-yl)cyclopenten-1-yl]-3,5-dimethyl-2-pyridinyl]-1,3-thiazole (CID 132533196) is 2-[6-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-1-benzofuran-3-yl)cyclopenten-1-yl]-3,5-dimethyl-2-pyridinyl]-1,3-thiazole.
What is the SMILES notation for 2-[6-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-1-benzofuran-3-yl)cyclopenten-1-yl]-3,5-dimethyl-2-pyridinyl]-1,3-thiazole?
The canonical SMILES for 2-[6-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-1-benzofuran-3-yl)cyclopenten-1-yl]-3,5-dimethyl-2-pyridinyl]-1,3-thiazole is Cc1cc(C)c(-c2nccs2)nc1C1=C(c2c(C)oc3ccccc23)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 2-[6-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-1-benzofuran-3-yl)cyclopenten-1-yl]-3,5-dimethyl-2-pyridinyl]-1,3-thiazole?
The InChIKey is ZSROCMSUYQTPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F6N2OS/c1-11-10-12(2)20(21-31-8-9-34-21)32-19(11)18-17(22(25,26)24(29,30)23(18,27)28)16-13(3)33-15-7-5-4-6-14(15)16/h4-10H,1-3H3.
What are the key properties of 2-[6-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-1-benzofuran-3-yl)cyclopenten-1-yl]-3,5-dimethyl-2-pyridinyl]-1,3-thiazole?
2-[6-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-1-benzofuran-3-yl)cyclopenten-1-yl]-3,5-dimethyl-2-pyridinyl]-1,3-thiazole has a molecular weight of 494.46 g/mol, XLogP of 7.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-1-benzofuran-3-yl)cyclopenten-1-yl]-3,5-dimethyl-2-pyridinyl]-1,3-thiazole is sourced from PubChem (CID 132533196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).