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

C23H14F6N4S2 — CID 101253185

IUPAC5-[3,3,4,4,5,5-hexafluoro-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)cyclopenten-1-yl]-4-methyl-2-pyridin-2-yl-1,3-thiazole
SMILESCc1nc(-c2ccccn2)sc1C1=C(c2sc(-c3ccccn3)nc2C)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C23H14F6N4S2/c1-11-17(34-19(32-11)13-7-3-5-9-30-13)15-16(22(26,27)23(28,29)21(15,24)25)18-12(2)33-20(35-18)14-8-4-6-10-31-14/h3-10H,1-2H3
InChIKeyPWPKXYMYQORIJB-UHFFFAOYSA-N
MW524.52 g/mol
LogP7.17
Rot. Bonds4

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

5-[3,3,4,4,5,5-hexafluoro-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)cyclopenten-1-yl]-4-methyl-2-pyridin-2-yl-1,3-thiazole (PubChem CID 101253185) has the molecular formula C23H14F6N4S2 and a molecular weight of 524.52 g/mol. Its IUPAC name is 5-[3,3,4,4,5,5-hexafluoro-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)cyclopenten-1-yl]-4-methyl-2-pyridin-2-yl-1,3-thiazole.

Molecular Properties

Compound Name5-[3,3,4,4,5,5-hexafluoro-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)cyclopenten-1-yl]-4-methyl-2-pyridin-2-yl-1,3-thiazole
PubChem CID101253185
Molecular FormulaC23H14F6N4S2
Molecular Weight524.52 g/mol
Exact Mass524.06
IUPAC Name5-[3,3,4,4,5,5-hexafluoro-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)cyclopenten-1-yl]-4-methyl-2-pyridin-2-yl-1,3-thiazole
SMILESCc1nc(-c2ccccn2)sc1C1=C(c2sc(-c3ccccn3)nc2C)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C23H14F6N4S2/c1-11-17(34-19(32-11)13-7-3-5-9-30-13)15-16(22(26,27)23(28,29)21(15,24)25)18-12(2)33-20(35-18)14-8-4-6-10-31-14/h3-10H,1-2H3
InChIKeyPWPKXYMYQORIJB-UHFFFAOYSA-N
XLogP7.17
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.52
LogP ≤ 57.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-pyridin-2-yl-1,3-thiazol-5-yl)cyclopenten-1-yl]-4-methyl-2-pyridin-2-yl-1,3-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[3,3,4,4,5,5-hexafluoro-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)cyclopenten-1-yl]-4-methyl-2-pyridin-2-yl-1,3-thiazole?
The IUPAC name of 5-[3,3,4,4,5,5-hexafluoro-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)cyclopenten-1-yl]-4-methyl-2-pyridin-2-yl-1,3-thiazole (CID 101253185) is 5-[3,3,4,4,5,5-hexafluoro-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)cyclopenten-1-yl]-4-methyl-2-pyridin-2-yl-1,3-thiazole.
What is the SMILES notation for 5-[3,3,4,4,5,5-hexafluoro-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)cyclopenten-1-yl]-4-methyl-2-pyridin-2-yl-1,3-thiazole?
The canonical SMILES for 5-[3,3,4,4,5,5-hexafluoro-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)cyclopenten-1-yl]-4-methyl-2-pyridin-2-yl-1,3-thiazole is Cc1nc(-c2ccccn2)sc1C1=C(c2sc(-c3ccccn3)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-pyridin-2-yl-1,3-thiazol-5-yl)cyclopenten-1-yl]-4-methyl-2-pyridin-2-yl-1,3-thiazole?
The InChIKey is PWPKXYMYQORIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14F6N4S2/c1-11-17(34-19(32-11)13-7-3-5-9-30-13)15-16(22(26,27)23(28,29)21(15,24)25)18-12(2)33-20(35-18)14-8-4-6-10-31-14/h3-10H,1-2H3.
What are the key properties of 5-[3,3,4,4,5,5-hexafluoro-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)cyclopenten-1-yl]-4-methyl-2-pyridin-2-yl-1,3-thiazole?
5-[3,3,4,4,5,5-hexafluoro-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)cyclopenten-1-yl]-4-methyl-2-pyridin-2-yl-1,3-thiazole has a molecular weight of 524.52 g/mol, XLogP of 7.17, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3,3,4,4,5,5-hexafluoro-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)cyclopenten-1-yl]-4-methyl-2-pyridin-2-yl-1,3-thiazole is sourced from PubChem (CID 101253185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).