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

C27H20F6N2O2S2 — CID 89364882

IUPAC[4-[5-[3,3,4,4,5,5-hexafluoro-2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]cyclopenten-1-yl]-4-methyl-1,3-thiazol-2-yl]phenyl]methanol
SMILESCOc1ccc(-c2nc(C)c(C3=C(c4sc(-c5ccc(CO)cc5)nc4C)C(F)(F)C(F)(F)C3(F)F)s2)cc1
InChIInChI=1S/C27H20F6N2O2S2/c1-13-21(38-23(34-13)16-6-4-15(12-36)5-7-16)19-20(26(30,31)27(32,33)25(19,28)29)22-14(2)35-24(39-22)17-8-10-18(37-3)11-9-17/h4-11,36H,12H2,1-3H3
InChIKeyOLKFTVGDMOWECI-UHFFFAOYSA-N
MW582.59 g/mol
LogP7.88
Rot. Bonds6

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

[4-[5-[3,3,4,4,5,5-hexafluoro-2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]cyclopenten-1-yl]-4-methyl-1,3-thiazol-2-yl]phenyl]methanol (PubChem CID 89364882) has the molecular formula C27H20F6N2O2S2 and a molecular weight of 582.59 g/mol. Its IUPAC name is [4-[5-[3,3,4,4,5,5-hexafluoro-2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]cyclopenten-1-yl]-4-methyl-1,3-thiazol-2-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-[5-[3,3,4,4,5,5-hexafluoro-2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]cyclopenten-1-yl]-4-methyl-1,3-thiazol-2-yl]phenyl]methanol
PubChem CID89364882
Molecular FormulaC27H20F6N2O2S2
Molecular Weight582.59 g/mol
Exact Mass582.09
IUPAC Name[4-[5-[3,3,4,4,5,5-hexafluoro-2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]cyclopenten-1-yl]-4-methyl-1,3-thiazol-2-yl]phenyl]methanol
SMILESCOc1ccc(-c2nc(C)c(C3=C(c4sc(-c5ccc(CO)cc5)nc4C)C(F)(F)C(F)(F)C3(F)F)s2)cc1
InChIInChI=1S/C27H20F6N2O2S2/c1-13-21(38-23(34-13)16-6-4-15(12-36)5-7-16)19-20(26(30,31)27(32,33)25(19,28)29)22-14(2)35-24(39-22)17-8-10-18(37-3)11-9-17/h4-11,36H,12H2,1-3H3
InChIKeyOLKFTVGDMOWECI-UHFFFAOYSA-N
XLogP7.88
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.59
LogP ≤ 57.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[5-[3,3,4,4,5,5-hexafluoro-2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]cyclopenten-1-yl]-4-methyl-1,3-thiazol-2-yl]phenyl]methanol?
The IUPAC name of [4-[5-[3,3,4,4,5,5-hexafluoro-2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]cyclopenten-1-yl]-4-methyl-1,3-thiazol-2-yl]phenyl]methanol (CID 89364882) is [4-[5-[3,3,4,4,5,5-hexafluoro-2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]cyclopenten-1-yl]-4-methyl-1,3-thiazol-2-yl]phenyl]methanol.
What is the SMILES notation for [4-[5-[3,3,4,4,5,5-hexafluoro-2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]cyclopenten-1-yl]-4-methyl-1,3-thiazol-2-yl]phenyl]methanol?
The canonical SMILES for [4-[5-[3,3,4,4,5,5-hexafluoro-2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]cyclopenten-1-yl]-4-methyl-1,3-thiazol-2-yl]phenyl]methanol is COc1ccc(-c2nc(C)c(C3=C(c4sc(-c5ccc(CO)cc5)nc4C)C(F)(F)C(F)(F)C3(F)F)s2)cc1.
What is the InChIKey of [4-[5-[3,3,4,4,5,5-hexafluoro-2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]cyclopenten-1-yl]-4-methyl-1,3-thiazol-2-yl]phenyl]methanol?
The InChIKey is OLKFTVGDMOWECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20F6N2O2S2/c1-13-21(38-23(34-13)16-6-4-15(12-36)5-7-16)19-20(26(30,31)27(32,33)25(19,28)29)22-14(2)35-24(39-22)17-8-10-18(37-3)11-9-17/h4-11,36H,12H2,1-3H3.
What are the key properties of [4-[5-[3,3,4,4,5,5-hexafluoro-2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]cyclopenten-1-yl]-4-methyl-1,3-thiazol-2-yl]phenyl]methanol?
[4-[5-[3,3,4,4,5,5-hexafluoro-2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]cyclopenten-1-yl]-4-methyl-1,3-thiazol-2-yl]phenyl]methanol has a molecular weight of 582.59 g/mol, XLogP of 7.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-[3,3,4,4,5,5-hexafluoro-2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]cyclopenten-1-yl]-4-methyl-1,3-thiazol-2-yl]phenyl]methanol is sourced from PubChem (CID 89364882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).