5-[(4-methoxyphenyl)-(2-oxo-4-phenyl-3H-1,3-thiazol-5-yl)methyl]-4-phenyl-3H-1,3-thiazol-2-one

C26H20N2O3S2 — CID 5302041

IUPAC5-[(4-methoxyphenyl)-(2-oxo-4-phenyl-3H-1,3-thiazol-5-yl)methyl]-4-phenyl-3H-1,3-thiazol-2-one
SMILESCOc1ccc(C(c2sc(=O)[nH]c2-c2ccccc2)c2sc(=O)[nH]c2-c2ccccc2)cc1
InChIInChI=1S/C26H20N2O3S2/c1-31-19-14-12-16(13-15-19)20(23-21(27-25(29)32-23)17-8-4-2-5-9-17)24-22(28-26(30)33-24)18-10-6-3-7-11-18/h2-15,20H,1H3,(H,27,29)(H,28,30)
InChIKeyIVNSMVHKYZYMMX-UHFFFAOYSA-N
MW472.59 g/mol
LogP5.71
Rot. Bonds6

About 5-[(4-methoxyphenyl)-(2-oxo-4-phenyl-3H-1,3-thiazol-5-yl)methyl]-4-phenyl-3H-1,3-thiazol-2-one

5-[(4-methoxyphenyl)-(2-oxo-4-phenyl-3H-1,3-thiazol-5-yl)methyl]-4-phenyl-3H-1,3-thiazol-2-one (PubChem CID 5302041) has the molecular formula C26H20N2O3S2 and a molecular weight of 472.59 g/mol. Its IUPAC name is 5-[(4-methoxyphenyl)-(2-oxo-4-phenyl-3H-1,3-thiazol-5-yl)methyl]-4-phenyl-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name5-[(4-methoxyphenyl)-(2-oxo-4-phenyl-3H-1,3-thiazol-5-yl)methyl]-4-phenyl-3H-1,3-thiazol-2-one
PubChem CID5302041
Molecular FormulaC26H20N2O3S2
Molecular Weight472.59 g/mol
Exact Mass472.09
IUPAC Name5-[(4-methoxyphenyl)-(2-oxo-4-phenyl-3H-1,3-thiazol-5-yl)methyl]-4-phenyl-3H-1,3-thiazol-2-one
SMILESCOc1ccc(C(c2sc(=O)[nH]c2-c2ccccc2)c2sc(=O)[nH]c2-c2ccccc2)cc1
InChIInChI=1S/C26H20N2O3S2/c1-31-19-14-12-16(13-15-19)20(23-21(27-25(29)32-23)17-8-4-2-5-9-17)24-22(28-26(30)33-24)18-10-6-3-7-11-18/h2-15,20H,1H3,(H,27,29)(H,28,30)
InChIKeyIVNSMVHKYZYMMX-UHFFFAOYSA-N
XLogP5.71
TPSA74.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.59
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[bis(4-methoxyphenyl)methyl]-4-phenylbenzene
CID 134976312
1-[bis[4-[(4-methoxyphenyl)-phenylmethyl]phenyl]methyl]-4-methoxybenzene
CID 70877905
1-fluoro-4-[(4-methoxyphenyl)-phenylmethyl]benzene
CID 132919259
5-(4-methoxyphenyl)-6-phenyl-1H-pyrimidine-2,4-dione
CID 10308352
4-(4-methoxyphenyl)-2-[4-[4-(4-methoxyphenyl)-5-phenyl-1H-imidazol-2-yl]phenyl]-5-phenyl-1H-imidazole
CID 136591177
2-(4-methoxyphenyl)-6-oxo-4-phenyl-1H-pyridine-3-carboxylic acid
CID 102419366
4,5-bis[4-(4-methoxyphenyl)phenyl]-2-phenyl-1H-imidazole
CID 86068927
6-[hydroxy-(4-methoxyphenyl)methyl]-3H-1,3-benzothiazol-2-one
CID 19811964
3-[2-(4-methoxyphenyl)-4-phenyl-1H-imidazol-5-yl]-6-[2-(4-methoxyphenyl)-5-phenyl-1H-imidazol-4-yl]fluoren-9-one
CID 135420505
1-tert-butyl-4-[(4-methoxyphenyl)-phenylmethyl]benzene
CID 102293623
[4-[bis(4-methoxyphenyl)methyl]phenyl]-diphenylphosphane
CID 132574561
4-[(4-methoxyphenyl)-(3-methyl-5-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-3-methyl-2-phenyl-1H-pyrazol-5-one
CID 95170126

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxyphenyl)-(2-oxo-4-phenyl-3H-1,3-thiazol-5-yl)methyl]-4-phenyl-3H-1,3-thiazol-2-one?
The IUPAC name of 5-[(4-methoxyphenyl)-(2-oxo-4-phenyl-3H-1,3-thiazol-5-yl)methyl]-4-phenyl-3H-1,3-thiazol-2-one (CID 5302041) is 5-[(4-methoxyphenyl)-(2-oxo-4-phenyl-3H-1,3-thiazol-5-yl)methyl]-4-phenyl-3H-1,3-thiazol-2-one.
What is the SMILES notation for 5-[(4-methoxyphenyl)-(2-oxo-4-phenyl-3H-1,3-thiazol-5-yl)methyl]-4-phenyl-3H-1,3-thiazol-2-one?
The canonical SMILES for 5-[(4-methoxyphenyl)-(2-oxo-4-phenyl-3H-1,3-thiazol-5-yl)methyl]-4-phenyl-3H-1,3-thiazol-2-one is COc1ccc(C(c2sc(=O)[nH]c2-c2ccccc2)c2sc(=O)[nH]c2-c2ccccc2)cc1.
What is the InChIKey of 5-[(4-methoxyphenyl)-(2-oxo-4-phenyl-3H-1,3-thiazol-5-yl)methyl]-4-phenyl-3H-1,3-thiazol-2-one?
The InChIKey is IVNSMVHKYZYMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O3S2/c1-31-19-14-12-16(13-15-19)20(23-21(27-25(29)32-23)17-8-4-2-5-9-17)24-22(28-26(30)33-24)18-10-6-3-7-11-18/h2-15,20H,1H3,(H,27,29)(H,28,30).
What are the key properties of 5-[(4-methoxyphenyl)-(2-oxo-4-phenyl-3H-1,3-thiazol-5-yl)methyl]-4-phenyl-3H-1,3-thiazol-2-one?
5-[(4-methoxyphenyl)-(2-oxo-4-phenyl-3H-1,3-thiazol-5-yl)methyl]-4-phenyl-3H-1,3-thiazol-2-one has a molecular weight of 472.59 g/mol, XLogP of 5.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxyphenyl)-(2-oxo-4-phenyl-3H-1,3-thiazol-5-yl)methyl]-4-phenyl-3H-1,3-thiazol-2-one is sourced from PubChem (CID 5302041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).