(2E)-2-[(5E)-5-[hydroxy(phenyl)methylidene]-4-imino-3-(4-methoxyphenyl)-1,3-thiazolidin-2-ylidene]-1-phenylethanone

C25H20N2O3S — CID 137292141

IUPAC(2E)-2-[(5E)-5-[hydroxy(phenyl)methylidene]-4-imino-3-(4-methoxyphenyl)-1,3-thiazolidin-2-ylidene]-1-phenylethanone
SMILES[H]/N=c1\c(=C(/O)c2ccccc2)s/c(=C/C(=O)c2ccccc2)n1-c1ccc(OC)cc1
InChIInChI=1S/C25H20N2O3S/c1-30-20-14-12-19(13-15-20)27-22(16-21(28)17-8-4-2-5-9-17)31-24(25(27)26)23(29)18-10-6-3-7-11-18/h2-16,26,29H,1H3/b22-16+,24-23+,26-25+
InChIKeyVPLQHBBQOAGKFA-HQKAQXGLSA-N
MW428.51 g/mol
LogP3.40
Rot. Bonds5

About (2E)-2-[(5E)-5-[hydroxy(phenyl)methylidene]-4-imino-3-(4-methoxyphenyl)-1,3-thiazolidin-2-ylidene]-1-phenylethanone

(2E)-2-[(5E)-5-[hydroxy(phenyl)methylidene]-4-imino-3-(4-methoxyphenyl)-1,3-thiazolidin-2-ylidene]-1-phenylethanone (PubChem CID 137292141) has the molecular formula C25H20N2O3S and a molecular weight of 428.51 g/mol. Its IUPAC name is (2E)-2-[(5E)-5-[hydroxy(phenyl)methylidene]-4-imino-3-(4-methoxyphenyl)-1,3-thiazolidin-2-ylidene]-1-phenylethanone.

Molecular Properties

Compound Name(2E)-2-[(5E)-5-[hydroxy(phenyl)methylidene]-4-imino-3-(4-methoxyphenyl)-1,3-thiazolidin-2-ylidene]-1-phenylethanone
PubChem CID137292141
Molecular FormulaC25H20N2O3S
Molecular Weight428.51 g/mol
Exact Mass428.12
IUPAC Name(2E)-2-[(5E)-5-[hydroxy(phenyl)methylidene]-4-imino-3-(4-methoxyphenyl)-1,3-thiazolidin-2-ylidene]-1-phenylethanone
SMILES[H]/N=c1\c(=C(/O)c2ccccc2)s/c(=C/C(=O)c2ccccc2)n1-c1ccc(OC)cc1
InChIInChI=1S/C25H20N2O3S/c1-30-20-14-12-19(13-15-20)27-22(16-21(28)17-8-4-2-5-9-17)31-24(25(27)26)23(29)18-10-6-3-7-11-18/h2-16,26,29H,1H3/b22-16+,24-23+,26-25+
InChIKeyVPLQHBBQOAGKFA-HQKAQXGLSA-N
XLogP3.40
TPSA75.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(4-methoxyphenyl)-phenylmethanimine
CID 10856767
(Z)-4,4,4-trifluoro-1-(4-methoxyphenyl)-3-phenylbut-2-en-1-one
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N-(4-imino-6-phenylfuro[2,3-d]pyrimidin-3-yl)-4-methoxybenzamide
CID 170835638
(E)-3-(4-methoxyphenyl)-1-phenylpent-2-en-1-one
CID 135075979
1-(4-methoxyphenyl)-2-methylidene-3-phenylpropane-1,3-dione
CID 15785953
(3-oxo-3-phenylprop-1-enyl) 4-methoxybenzoate
CID 2825584
2-[2-(4-methoxyphenyl)ethenyl]-3-[4-[3-(4-methoxyphenyl)prop-2-enoyl]phenyl]quinazolin-4-one
CID 71960265
3-benzoyl-1-(4-methoxyphenyl)-2-phenylquinolin-4-one
CID 166439002
ethyl 3-(4-methoxyphenyl)-5-methyl-2-phenylimidazole-4-carboxylate
CID 132502510
(Z)-1-(4-methoxyphenyl)-3-phenyl-3-phenylselanylprop-2-en-1-one
CID 15851628
[4-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]phenyl]-phenylmethanone
CID 134955229
2-imino-1-(4-methoxyphenyl)-1,8-naphthyridine-3-carbaldehyde;hydrochloride
CID 22917769

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(5E)-5-[hydroxy(phenyl)methylidene]-4-imino-3-(4-methoxyphenyl)-1,3-thiazolidin-2-ylidene]-1-phenylethanone?
The IUPAC name of (2E)-2-[(5E)-5-[hydroxy(phenyl)methylidene]-4-imino-3-(4-methoxyphenyl)-1,3-thiazolidin-2-ylidene]-1-phenylethanone (CID 137292141) is (2E)-2-[(5E)-5-[hydroxy(phenyl)methylidene]-4-imino-3-(4-methoxyphenyl)-1,3-thiazolidin-2-ylidene]-1-phenylethanone.
What is the SMILES notation for (2E)-2-[(5E)-5-[hydroxy(phenyl)methylidene]-4-imino-3-(4-methoxyphenyl)-1,3-thiazolidin-2-ylidene]-1-phenylethanone?
The canonical SMILES for (2E)-2-[(5E)-5-[hydroxy(phenyl)methylidene]-4-imino-3-(4-methoxyphenyl)-1,3-thiazolidin-2-ylidene]-1-phenylethanone is [H]/N=c1\c(=C(/O)c2ccccc2)s/c(=C/C(=O)c2ccccc2)n1-c1ccc(OC)cc1.
What is the InChIKey of (2E)-2-[(5E)-5-[hydroxy(phenyl)methylidene]-4-imino-3-(4-methoxyphenyl)-1,3-thiazolidin-2-ylidene]-1-phenylethanone?
The InChIKey is VPLQHBBQOAGKFA-HQKAQXGLSA-N. The full InChI is InChI=1S/C25H20N2O3S/c1-30-20-14-12-19(13-15-20)27-22(16-21(28)17-8-4-2-5-9-17)31-24(25(27)26)23(29)18-10-6-3-7-11-18/h2-16,26,29H,1H3/b22-16+,24-23+,26-25+.
What are the key properties of (2E)-2-[(5E)-5-[hydroxy(phenyl)methylidene]-4-imino-3-(4-methoxyphenyl)-1,3-thiazolidin-2-ylidene]-1-phenylethanone?
(2E)-2-[(5E)-5-[hydroxy(phenyl)methylidene]-4-imino-3-(4-methoxyphenyl)-1,3-thiazolidin-2-ylidene]-1-phenylethanone has a molecular weight of 428.51 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(5E)-5-[hydroxy(phenyl)methylidene]-4-imino-3-(4-methoxyphenyl)-1,3-thiazolidin-2-ylidene]-1-phenylethanone is sourced from PubChem (CID 137292141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).