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

C27H20F6N2O2S2 — CID 102197374

IUPAC4-[3,3,4,4,5,5-hexafluoro-2-[2-(4-methoxyphenyl)-5-methyl-1,3-thiazol-4-yl]cyclopenten-1-yl]-2-(4-methoxyphenyl)-5-methyl-1,3-thiazole
SMILESCOc1ccc(-c2nc(C3=C(c4nc(-c5ccc(OC)cc5)sc4C)C(F)(F)C(F)(F)C3(F)F)c(C)s2)cc1
InChIInChI=1S/C27H20F6N2O2S2/c1-13-21(34-23(38-13)15-5-9-17(36-3)10-6-15)19-20(26(30,31)27(32,33)25(19,28)29)22-14(2)39-24(35-22)16-7-11-18(37-4)12-8-16/h5-12H,1-4H3
InChIKeyYSGCXMIYQZJRHY-UHFFFAOYSA-N
MW582.59 g/mol
LogP8.40
Rot. Bonds6

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

4-[3,3,4,4,5,5-hexafluoro-2-[2-(4-methoxyphenyl)-5-methyl-1,3-thiazol-4-yl]cyclopenten-1-yl]-2-(4-methoxyphenyl)-5-methyl-1,3-thiazole (PubChem CID 102197374) has the molecular formula C27H20F6N2O2S2 and a molecular weight of 582.59 g/mol. Its IUPAC name is 4-[3,3,4,4,5,5-hexafluoro-2-[2-(4-methoxyphenyl)-5-methyl-1,3-thiazol-4-yl]cyclopenten-1-yl]-2-(4-methoxyphenyl)-5-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[3,3,4,4,5,5-hexafluoro-2-[2-(4-methoxyphenyl)-5-methyl-1,3-thiazol-4-yl]cyclopenten-1-yl]-2-(4-methoxyphenyl)-5-methyl-1,3-thiazole
PubChem CID102197374
Molecular FormulaC27H20F6N2O2S2
Molecular Weight582.59 g/mol
Exact Mass582.09
IUPAC Name4-[3,3,4,4,5,5-hexafluoro-2-[2-(4-methoxyphenyl)-5-methyl-1,3-thiazol-4-yl]cyclopenten-1-yl]-2-(4-methoxyphenyl)-5-methyl-1,3-thiazole
SMILESCOc1ccc(-c2nc(C3=C(c4nc(-c5ccc(OC)cc5)sc4C)C(F)(F)C(F)(F)C3(F)F)c(C)s2)cc1
InChIInChI=1S/C27H20F6N2O2S2/c1-13-21(34-23(38-13)15-5-9-17(36-3)10-6-15)19-20(26(30,31)27(32,33)25(19,28)29)22-14(2)39-24(35-22)16-7-11-18(37-4)12-8-16/h5-12H,1-4H3
InChIKeyYSGCXMIYQZJRHY-UHFFFAOYSA-N
XLogP8.40
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.59
LogP ≤ 58.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

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Related Compounds

Itazigrel
CID 51087
Thiazolo(5,4-d)thiazole, 2,5-bis(p-methoxyphenyl)-
CID 1069448
2-Aminomethyl-4,5-bis(4-methoxyphenyl)thiazole
CID 9973662
1-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-N,N-dimethylmethanamine
CID 9998279
4,5-Bis(4-methoxyphenyl)-2-(1-methyl-1,2,5,6-tetrahydro-4-pyridyl)thiazole
CID 11741253
4-(4-Fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(4-methoxyphenyl)thiazole
CID 22911832
4-[4-(3-Fluoro-4-methoxy-phenyl)-2-methyl-thiazol-5-yl]-benzenesulfonamide
CID 44271374
2-{[4-(4-Methoxyphenyl)-1,3-thiazol-2-yl]methyl}-1,3-thiazol-4-ol
CID 1482058
N-butyl-N-[3-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenoxy]propyl]butan-1-amine;hydrate;hydrochloride
CID 49860351
N-butyl-N-[3-[4-(5-ethyl-2-phenyl-1,3-thiazol-4-yl)phenoxy]propyl]butan-1-amine;hydrate;hydrochloride
CID 49860353
5-[(Z)-indol-2-ylidenemethyl]-2-(4-methoxyphenyl)-1,3-thiazol-4-ol
CID 136254208
4,5-Bis(4-methoxyphenyl)-1,3-thiazole-2-carboxamide
CID 10042872

Frequently Asked Questions

What is the IUPAC name of 4-[3,3,4,4,5,5-hexafluoro-2-[2-(4-methoxyphenyl)-5-methyl-1,3-thiazol-4-yl]cyclopenten-1-yl]-2-(4-methoxyphenyl)-5-methyl-1,3-thiazole?
The IUPAC name of 4-[3,3,4,4,5,5-hexafluoro-2-[2-(4-methoxyphenyl)-5-methyl-1,3-thiazol-4-yl]cyclopenten-1-yl]-2-(4-methoxyphenyl)-5-methyl-1,3-thiazole (CID 102197374) is 4-[3,3,4,4,5,5-hexafluoro-2-[2-(4-methoxyphenyl)-5-methyl-1,3-thiazol-4-yl]cyclopenten-1-yl]-2-(4-methoxyphenyl)-5-methyl-1,3-thiazole.
What is the SMILES notation for 4-[3,3,4,4,5,5-hexafluoro-2-[2-(4-methoxyphenyl)-5-methyl-1,3-thiazol-4-yl]cyclopenten-1-yl]-2-(4-methoxyphenyl)-5-methyl-1,3-thiazole?
The canonical SMILES for 4-[3,3,4,4,5,5-hexafluoro-2-[2-(4-methoxyphenyl)-5-methyl-1,3-thiazol-4-yl]cyclopenten-1-yl]-2-(4-methoxyphenyl)-5-methyl-1,3-thiazole is COc1ccc(-c2nc(C3=C(c4nc(-c5ccc(OC)cc5)sc4C)C(F)(F)C(F)(F)C3(F)F)c(C)s2)cc1.
What is the InChIKey of 4-[3,3,4,4,5,5-hexafluoro-2-[2-(4-methoxyphenyl)-5-methyl-1,3-thiazol-4-yl]cyclopenten-1-yl]-2-(4-methoxyphenyl)-5-methyl-1,3-thiazole?
The InChIKey is YSGCXMIYQZJRHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20F6N2O2S2/c1-13-21(34-23(38-13)15-5-9-17(36-3)10-6-15)19-20(26(30,31)27(32,33)25(19,28)29)22-14(2)39-24(35-22)16-7-11-18(37-4)12-8-16/h5-12H,1-4H3.
What are the key properties of 4-[3,3,4,4,5,5-hexafluoro-2-[2-(4-methoxyphenyl)-5-methyl-1,3-thiazol-4-yl]cyclopenten-1-yl]-2-(4-methoxyphenyl)-5-methyl-1,3-thiazole?
4-[3,3,4,4,5,5-hexafluoro-2-[2-(4-methoxyphenyl)-5-methyl-1,3-thiazol-4-yl]cyclopenten-1-yl]-2-(4-methoxyphenyl)-5-methyl-1,3-thiazole has a molecular weight of 582.59 g/mol, XLogP of 8.40, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,3,4,4,5,5-hexafluoro-2-[2-(4-methoxyphenyl)-5-methyl-1,3-thiazol-4-yl]cyclopenten-1-yl]-2-(4-methoxyphenyl)-5-methyl-1,3-thiazole is sourced from PubChem (CID 102197374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).