2-[2-[(Z)-1-(4-methylsulfonylphenyl)-2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]ethenyl]-1,3-thiazol-5-yl]propan-2-ol

C33H32N2O3S2 — CID 10231581

IUPAC2-[2-[(Z)-1-(4-methylsulfonylphenyl)-2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]ethenyl]-1,3-thiazol-5-yl]propan-2-ol
SMILESCC(C)c1cc(-c2cccc(/C=C(/c3ccc(S(C)(=O)=O)cc3)c3ncc(C(C)(C)O)s3)c2)c2ncccc2c1
InChIInChI=1S/C33H32N2O3S2/c1-21(2)26-18-25-10-7-15-34-31(25)28(19-26)24-9-6-8-22(16-24)17-29(32-35-20-30(39-32)33(3,4)36)23-11-13-27(14-12-23)40(5,37)38/h6-21,36H,1-5H3/b29-17-
InChIKeyNHOIFXNPXAQLMD-RHANQZHGSA-N
MW568.76 g/mol
LogP7.70
Rot. Bonds7

About 2-[2-[(Z)-1-(4-methylsulfonylphenyl)-2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]ethenyl]-1,3-thiazol-5-yl]propan-2-ol

2-[2-[(Z)-1-(4-methylsulfonylphenyl)-2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]ethenyl]-1,3-thiazol-5-yl]propan-2-ol (PubChem CID 10231581) has the molecular formula C33H32N2O3S2 and a molecular weight of 568.76 g/mol. Its IUPAC name is 2-[2-[(Z)-1-(4-methylsulfonylphenyl)-2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]ethenyl]-1,3-thiazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name2-[2-[(Z)-1-(4-methylsulfonylphenyl)-2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]ethenyl]-1,3-thiazol-5-yl]propan-2-ol
PubChem CID10231581
Molecular FormulaC33H32N2O3S2
Molecular Weight568.76 g/mol
Exact Mass568.19
IUPAC Name2-[2-[(Z)-1-(4-methylsulfonylphenyl)-2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]ethenyl]-1,3-thiazol-5-yl]propan-2-ol
SMILESCC(C)c1cc(-c2cccc(/C=C(/c3ccc(S(C)(=O)=O)cc3)c3ncc(C(C)(C)O)s3)c2)c2ncccc2c1
InChIInChI=1S/C33H32N2O3S2/c1-21(2)26-18-25-10-7-15-34-31(25)28(19-26)24-9-6-8-22(16-24)17-29(32-35-20-30(39-32)33(3,4)36)23-11-13-27(14-12-23)40(5,37)38/h6-21,36H,1-5H3/b29-17-
InChIKeyNHOIFXNPXAQLMD-RHANQZHGSA-N
XLogP7.70
TPSA80.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.76
LogP ≤ 57.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[2-[(Z)-1-(4-methylsulfonylphenyl)-2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]ethenyl]-1,3-thiazol-5-yl]propan-2-ol 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 2-[2-[(Z)-1-(4-methylsulfonylphenyl)-2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]ethenyl]-1,3-thiazol-5-yl]propan-2-ol?
The IUPAC name of 2-[2-[(Z)-1-(4-methylsulfonylphenyl)-2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]ethenyl]-1,3-thiazol-5-yl]propan-2-ol (CID 10231581) is 2-[2-[(Z)-1-(4-methylsulfonylphenyl)-2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]ethenyl]-1,3-thiazol-5-yl]propan-2-ol.
What is the SMILES notation for 2-[2-[(Z)-1-(4-methylsulfonylphenyl)-2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]ethenyl]-1,3-thiazol-5-yl]propan-2-ol?
The canonical SMILES for 2-[2-[(Z)-1-(4-methylsulfonylphenyl)-2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]ethenyl]-1,3-thiazol-5-yl]propan-2-ol is CC(C)c1cc(-c2cccc(/C=C(/c3ccc(S(C)(=O)=O)cc3)c3ncc(C(C)(C)O)s3)c2)c2ncccc2c1.
What is the InChIKey of 2-[2-[(Z)-1-(4-methylsulfonylphenyl)-2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]ethenyl]-1,3-thiazol-5-yl]propan-2-ol?
The InChIKey is NHOIFXNPXAQLMD-RHANQZHGSA-N. The full InChI is InChI=1S/C33H32N2O3S2/c1-21(2)26-18-25-10-7-15-34-31(25)28(19-26)24-9-6-8-22(16-24)17-29(32-35-20-30(39-32)33(3,4)36)23-11-13-27(14-12-23)40(5,37)38/h6-21,36H,1-5H3/b29-17-.
What are the key properties of 2-[2-[(Z)-1-(4-methylsulfonylphenyl)-2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]ethenyl]-1,3-thiazol-5-yl]propan-2-ol?
2-[2-[(Z)-1-(4-methylsulfonylphenyl)-2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]ethenyl]-1,3-thiazol-5-yl]propan-2-ol has a molecular weight of 568.76 g/mol, XLogP of 7.70, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(Z)-1-(4-methylsulfonylphenyl)-2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]ethenyl]-1,3-thiazol-5-yl]propan-2-ol is sourced from PubChem (CID 10231581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).