4-[2-(2,5-dimethylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methoxy-2-phenyl-1,3-thiazole

C21H15F6NOS2 — CID 139229276

IUPAC4-[2-(2,5-dimethylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methoxy-2-phenyl-1,3-thiazole
SMILESCOc1sc(-c2ccccc2)nc1C1=C(c2cc(C)sc2C)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C21H15F6NOS2/c1-10-9-13(11(2)30-10)14-15(20(24,25)21(26,27)19(14,22)23)16-18(29-3)31-17(28-16)12-7-5-4-6-8-12/h4-9H,1-3H3
InChIKeyIACNGSNHDUBKQL-UHFFFAOYSA-N
MW475.48 g/mol
LogP7.33
Rot. Bonds4

About 4-[2-(2,5-dimethylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methoxy-2-phenyl-1,3-thiazole

4-[2-(2,5-dimethylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methoxy-2-phenyl-1,3-thiazole (PubChem CID 139229276) has the molecular formula C21H15F6NOS2 and a molecular weight of 475.48 g/mol. Its IUPAC name is 4-[2-(2,5-dimethylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methoxy-2-phenyl-1,3-thiazole.

Molecular Properties

Compound Name4-[2-(2,5-dimethylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methoxy-2-phenyl-1,3-thiazole
PubChem CID139229276
Molecular FormulaC21H15F6NOS2
Molecular Weight475.48 g/mol
Exact Mass475.05
IUPAC Name4-[2-(2,5-dimethylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methoxy-2-phenyl-1,3-thiazole
SMILESCOc1sc(-c2ccccc2)nc1C1=C(c2cc(C)sc2C)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C21H15F6NOS2/c1-10-9-13(11(2)30-10)14-15(20(24,25)21(26,27)19(14,22)23)16-18(29-3)31-17(28-16)12-7-5-4-6-8-12/h4-9H,1-3H3
InChIKeyIACNGSNHDUBKQL-UHFFFAOYSA-N
XLogP7.33
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.48
LogP ≤ 57.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[2-(2,5-dimethylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methoxy-2-phenyl-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-(2,5-dimethylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2,5-dimethylthiophene
CID 15535876
5-methoxy-4-methyl-2-phenyl-1,3-thiazole
CID 116887501
3-[3,3,4,4,5,5-hexafluoro-2-[5-[5-[5-[5-[5-[4-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-5-phenylthiophen-3-yl)cyclopenten-1-yl]-5-methylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-2-methylthiophen-3-yl]cyclopenten-1-yl]-2-methyl-5-phenylthiophene
CID 102279973
4-[3,3,4,4,5,5-hexafluoro-2-[6-(3-methylphenyl)-1-benzothiophen-2-yl]cyclopenten-1-yl]-5-methyl-2-phenyl-1,3-thiazole
CID 174425306
3-[3,3,4,4,5,5-hexafluoro-2-(2-methoxy-4-methyl-5-phenylthiophen-3-yl)cyclopenten-1-yl]-2-methoxy-4-methyl-5-phenylthiophene
CID 101223689
triethyl-[3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-5-phenylthiophen-3-yl)cyclopenten-1-yl]-5-phenylthiophen-2-yl]silane
CID 156711255
5-[4-(2,4-diphenylphenyl)phenyl]-3-[2-[5-[4-(2,4-diphenylphenyl)phenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2-methylthiophene
CID 134393777
3-[3,3,4,4,5,5-hexafluoro-2-[2-(trifluoromethyl)phenyl]cyclopenten-1-yl]-2-methyl-5-phenylthiophene
CID 102577266
4-(3-bromo-1-benzothiophen-2-yl)-5-methoxy-2-phenyl-1,3-thiazole
CID 144905413
2,5-diethynyl-3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-5-phenylthiophen-3-yl)cyclopenten-1-yl]-4-methylthiophene
CID 102497315
3,3,4,4,5,5-hexafluoro-2-(2-methyl-5-phenylthiophen-3-yl)cyclopentene-1-carbaldehyde
CID 59420013
2-[4-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-5-pyridin-2-ylthiophen-3-yl)cyclopenten-1-yl]-5-methylthiophen-2-yl]pyridine
CID 101338868

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,5-dimethylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methoxy-2-phenyl-1,3-thiazole?
The IUPAC name of 4-[2-(2,5-dimethylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methoxy-2-phenyl-1,3-thiazole (CID 139229276) is 4-[2-(2,5-dimethylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methoxy-2-phenyl-1,3-thiazole.
What is the SMILES notation for 4-[2-(2,5-dimethylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methoxy-2-phenyl-1,3-thiazole?
The canonical SMILES for 4-[2-(2,5-dimethylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methoxy-2-phenyl-1,3-thiazole is COc1sc(-c2ccccc2)nc1C1=C(c2cc(C)sc2C)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 4-[2-(2,5-dimethylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methoxy-2-phenyl-1,3-thiazole?
The InChIKey is IACNGSNHDUBKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F6NOS2/c1-10-9-13(11(2)30-10)14-15(20(24,25)21(26,27)19(14,22)23)16-18(29-3)31-17(28-16)12-7-5-4-6-8-12/h4-9H,1-3H3.
What are the key properties of 4-[2-(2,5-dimethylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methoxy-2-phenyl-1,3-thiazole?
4-[2-(2,5-dimethylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methoxy-2-phenyl-1,3-thiazole has a molecular weight of 475.48 g/mol, XLogP of 7.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,5-dimethylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methoxy-2-phenyl-1,3-thiazole is sourced from PubChem (CID 139229276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).