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

C23H16F6N2S4 — CID 21044737

IUPAC5-[3,3,4,4,5,5-hexafluoro-2-[4-methyl-2-(5-methylthiophen-2-yl)-1,3-thiazol-5-yl]cyclopenten-1-yl]-4-methyl-2-(5-methylthiophen-2-yl)-1,3-thiazole
SMILESCc1ccc(-c2nc(C)c(C3=C(c4sc(-c5ccc(C)s5)nc4C)C(F)(F)C(F)(F)C3(F)F)s2)s1
InChIInChI=1S/C23H16F6N2S4/c1-9-5-7-13(32-9)19-30-11(3)17(34-19)15-16(22(26,27)23(28,29)21(15,24)25)18-12(4)31-20(35-18)14-8-6-10(2)33-14/h5-8H,1-4H3
InChIKeyHXPWUCOHLGNADV-UHFFFAOYSA-N
MW562.65 g/mol
LogP9.12
Rot. Bonds4

About 5-[3,3,4,4,5,5-hexafluoro-2-[4-methyl-2-(5-methylthiophen-2-yl)-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-[4-methyl-2-(5-methylthiophen-2-yl)-1,3-thiazol-5-yl]cyclopenten-1-yl]-4-methyl-2-(5-methylthiophen-2-yl)-1,3-thiazole (PubChem CID 21044737) has the molecular formula C23H16F6N2S4 and a molecular weight of 562.65 g/mol. Its IUPAC name is 5-[3,3,4,4,5,5-hexafluoro-2-[4-methyl-2-(5-methylthiophen-2-yl)-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-[4-methyl-2-(5-methylthiophen-2-yl)-1,3-thiazol-5-yl]cyclopenten-1-yl]-4-methyl-2-(5-methylthiophen-2-yl)-1,3-thiazole
PubChem CID21044737
Molecular FormulaC23H16F6N2S4
Molecular Weight562.65 g/mol
Exact Mass562.01
IUPAC Name5-[3,3,4,4,5,5-hexafluoro-2-[4-methyl-2-(5-methylthiophen-2-yl)-1,3-thiazol-5-yl]cyclopenten-1-yl]-4-methyl-2-(5-methylthiophen-2-yl)-1,3-thiazole
SMILESCc1ccc(-c2nc(C)c(C3=C(c4sc(-c5ccc(C)s5)nc4C)C(F)(F)C(F)(F)C3(F)F)s2)s1
InChIInChI=1S/C23H16F6N2S4/c1-9-5-7-13(32-9)19-30-11(3)17(34-19)15-16(22(26,27)23(28,29)21(15,24)25)18-12(4)31-20(35-18)14-8-6-10(2)33-14/h5-8H,1-4H3
InChIKeyHXPWUCOHLGNADV-UHFFFAOYSA-N
XLogP9.12
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.65
LogP ≤ 59.12
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-(5-methylthiophen-2-yl)-1,3-thiazol-5-yl]cyclopenten-1-yl]-4-methyl-2-(5-methylthiophen-2-yl)-1,3-thiazole with MolForge

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Related Compounds

ethane;2-methyl-5-(5-methylthiophen-2-yl)thiophene
CID 91463281
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CID 66647115
2-[2-(3,5-dimethylthiophen-2-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-3,5-dimethylthiophene
CID 5325966
2,7-bis(5-methylthiophen-2-yl)-[1,3]benzothiazolo[5,4-e][1,3]benzothiazole
CID 130235881
2-[3,3,4,4,5,5-hexafluoro-2-(3-methyl-5-phenylthiophen-2-yl)cyclopenten-1-yl]-3-methyl-5-phenylthiophene
CID 101101183
5-(5-methylthiophen-2-yl)-3H-1,3,4-thiadiazole-2-thione
CID 23007251
2-iodo-5-(5-methylthiophen-2-yl)-1,3,4-thiadiazole
CID 63383792
5-(5-methylthiophen-2-yl)-1,2-oxazole
CID 45099284
2,5-bis(5-methylthiophen-2-yl)thieno[3,2-b]thiophene;ethane
CID 161142248
4-methyl-2-(5-methylthiophen-2-yl)pyrimidin-5-amine
CID 130756454
4-methyl-2-phenyl-5-(1H-pyrazol-5-yl)-1,3-thiazole
CID 1480004
5-[5-[4-[3,3,4,4,5,5-hexafluoro-2-[5-[5-(5-isocyanothiophen-2-yl)thiophen-2-yl]-2-(5-methylthiophen-2-yl)thiophen-3-yl]cyclopenten-1-yl]-5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene-2-carbonitrile
CID 123693273

Frequently Asked Questions

What is the IUPAC name of 5-[3,3,4,4,5,5-hexafluoro-2-[4-methyl-2-(5-methylthiophen-2-yl)-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-[4-methyl-2-(5-methylthiophen-2-yl)-1,3-thiazol-5-yl]cyclopenten-1-yl]-4-methyl-2-(5-methylthiophen-2-yl)-1,3-thiazole (CID 21044737) is 5-[3,3,4,4,5,5-hexafluoro-2-[4-methyl-2-(5-methylthiophen-2-yl)-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-[4-methyl-2-(5-methylthiophen-2-yl)-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-[4-methyl-2-(5-methylthiophen-2-yl)-1,3-thiazol-5-yl]cyclopenten-1-yl]-4-methyl-2-(5-methylthiophen-2-yl)-1,3-thiazole is Cc1ccc(-c2nc(C)c(C3=C(c4sc(-c5ccc(C)s5)nc4C)C(F)(F)C(F)(F)C3(F)F)s2)s1.
What is the InChIKey of 5-[3,3,4,4,5,5-hexafluoro-2-[4-methyl-2-(5-methylthiophen-2-yl)-1,3-thiazol-5-yl]cyclopenten-1-yl]-4-methyl-2-(5-methylthiophen-2-yl)-1,3-thiazole?
The InChIKey is HXPWUCOHLGNADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F6N2S4/c1-9-5-7-13(32-9)19-30-11(3)17(34-19)15-16(22(26,27)23(28,29)21(15,24)25)18-12(4)31-20(35-18)14-8-6-10(2)33-14/h5-8H,1-4H3.
What are the key properties of 5-[3,3,4,4,5,5-hexafluoro-2-[4-methyl-2-(5-methylthiophen-2-yl)-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-[4-methyl-2-(5-methylthiophen-2-yl)-1,3-thiazol-5-yl]cyclopenten-1-yl]-4-methyl-2-(5-methylthiophen-2-yl)-1,3-thiazole has a molecular weight of 562.65 g/mol, XLogP of 9.12, 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-(5-methylthiophen-2-yl)-1,3-thiazol-5-yl]cyclopenten-1-yl]-4-methyl-2-(5-methylthiophen-2-yl)-1,3-thiazole is sourced from PubChem (CID 21044737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).