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

C25H18F6N2OS3 — CID 21044736

IUPAC5-[3,3,4,4,5,5-hexafluoro-2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]cyclopenten-1-yl]-4-methyl-2-(5-methylthiophen-2-yl)-1,3-thiazole
SMILESCOc1ccc(-c2nc(C)c(C3=C(c4sc(-c5ccc(C)s5)nc4C)C(F)(F)C(F)(F)C3(F)F)s2)cc1
InChIInChI=1S/C25H18F6N2OS3/c1-11-5-10-16(35-11)22-33-13(3)20(37-22)18-17(23(26,27)25(30,31)24(18,28)29)19-12(2)32-21(36-19)14-6-8-15(34-4)9-7-14/h5-10H,1-4H3
InChIKeyRDPQFGUNPPEHAJ-UHFFFAOYSA-N
MW572.62 g/mol
LogP8.76
Rot. Bonds5

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

5-[3,3,4,4,5,5-hexafluoro-2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]cyclopenten-1-yl]-4-methyl-2-(5-methylthiophen-2-yl)-1,3-thiazole (PubChem CID 21044736) has the molecular formula C25H18F6N2OS3 and a molecular weight of 572.62 g/mol. Its IUPAC name is 5-[3,3,4,4,5,5-hexafluoro-2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]cyclopenten-1-yl]-4-methyl-2-(5-methylthiophen-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name5-[3,3,4,4,5,5-hexafluoro-2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]cyclopenten-1-yl]-4-methyl-2-(5-methylthiophen-2-yl)-1,3-thiazole
PubChem CID21044736
Molecular FormulaC25H18F6N2OS3
Molecular Weight572.62 g/mol
Exact Mass572.05
IUPAC Name5-[3,3,4,4,5,5-hexafluoro-2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]cyclopenten-1-yl]-4-methyl-2-(5-methylthiophen-2-yl)-1,3-thiazole
SMILESCOc1ccc(-c2nc(C)c(C3=C(c4sc(-c5ccc(C)s5)nc4C)C(F)(F)C(F)(F)C3(F)F)s2)cc1
InChIInChI=1S/C25H18F6N2OS3/c1-11-5-10-16(35-11)22-33-13(3)20(37-22)18-17(23(26,27)25(30,31)24(18,28)29)19-12(2)32-21(36-19)14-6-8-15(34-4)9-7-14/h5-10H,1-4H3
InChIKeyRDPQFGUNPPEHAJ-UHFFFAOYSA-N
XLogP8.76
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.62
LogP ≤ 58.76
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-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]cyclopenten-1-yl]-4-methyl-2-(5-methylthiophen-2-yl)-1,3-thiazole with MolForge

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Launch Full Analysis

Related Compounds

Itazigrel
CID 51087
5-Fluoro-2-(3-fluoro-4-methoxyphenyl)-1,3-benzothiazole
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CID 3062249
4-(2,5-Dimethyl-1,3-thiazol-4-yl)phenyl methyl ether
CID 15945626
5-methyl-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-3-[4-(trifluoromethoxy)phenyl]-4H-1,2-oxazole
CID 16746036
5-(4-Methoxyphenyl)-4-methyl-2-(4-methylphenyl)-1,3-thiazole
CID 118719704
4-(4-Methoxyphenyl)-2,5-dimethyl-1,3-thiazole
CID 3350660
4,5-Bis(4-methoxyphenyl)-2-methyl-1,3-thiazole
CID 13015377
2-Isopropyl-4,5-bis(p-methoxyphenyl)thiazole
CID 13015383
2-[4-(5-Bromothiophen-2-yl)-1,3-thiazol-2-yl]-4-(3-fluoro-4-methoxyphenyl)-1,3-thiazole
CID 15988515
difluoro-[2-(4-methoxyphenyl)-5-[(1E)-2,2,2-trifluoro-1-[2-(4-methoxyphenyl)thieno[3,2-b]pyrrol-5-ylidene]ethyl]thieno[3,2-b]pyrrol-4-yl]borane
CID 139258906
2-(4-(4-Methoxy-phenyl)-thiazol-2-YL)-3-thiophen-2-YL-acrylonitrile
CID 5332257

Frequently Asked Questions

What is the IUPAC name of 5-[3,3,4,4,5,5-hexafluoro-2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]cyclopenten-1-yl]-4-methyl-2-(5-methylthiophen-2-yl)-1,3-thiazole?
The IUPAC name of 5-[3,3,4,4,5,5-hexafluoro-2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]cyclopenten-1-yl]-4-methyl-2-(5-methylthiophen-2-yl)-1,3-thiazole (CID 21044736) is 5-[3,3,4,4,5,5-hexafluoro-2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]cyclopenten-1-yl]-4-methyl-2-(5-methylthiophen-2-yl)-1,3-thiazole.
What is the SMILES notation for 5-[3,3,4,4,5,5-hexafluoro-2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]cyclopenten-1-yl]-4-methyl-2-(5-methylthiophen-2-yl)-1,3-thiazole?
The canonical SMILES for 5-[3,3,4,4,5,5-hexafluoro-2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]cyclopenten-1-yl]-4-methyl-2-(5-methylthiophen-2-yl)-1,3-thiazole is COc1ccc(-c2nc(C)c(C3=C(c4sc(-c5ccc(C)s5)nc4C)C(F)(F)C(F)(F)C3(F)F)s2)cc1.
What is the InChIKey of 5-[3,3,4,4,5,5-hexafluoro-2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]cyclopenten-1-yl]-4-methyl-2-(5-methylthiophen-2-yl)-1,3-thiazole?
The InChIKey is RDPQFGUNPPEHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F6N2OS3/c1-11-5-10-16(35-11)22-33-13(3)20(37-22)18-17(23(26,27)25(30,31)24(18,28)29)19-12(2)32-21(36-19)14-6-8-15(34-4)9-7-14/h5-10H,1-4H3.
What are the key properties of 5-[3,3,4,4,5,5-hexafluoro-2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]cyclopenten-1-yl]-4-methyl-2-(5-methylthiophen-2-yl)-1,3-thiazole?
5-[3,3,4,4,5,5-hexafluoro-2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]cyclopenten-1-yl]-4-methyl-2-(5-methylthiophen-2-yl)-1,3-thiazole has a molecular weight of 572.62 g/mol, XLogP of 8.76, 5 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-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]cyclopenten-1-yl]-4-methyl-2-(5-methylthiophen-2-yl)-1,3-thiazole is sourced from PubChem (CID 21044736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).