(2Z,5E)-5-benzylidene-2-[2-(3-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one

C19H15NO3S — CID 22302335

IUPAC(2Z,5E)-5-benzylidene-2-[2-(3-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
SMILESCOc1cccc(C(=O)/C=c2/[nH]c(=O)/c(=C\c3ccccc3)s2)c1
InChIInChI=1S/C19H15NO3S/c1-23-15-9-5-8-14(11-15)16(21)12-18-20-19(22)17(24-18)10-13-6-3-2-4-7-13/h2-12H,1H3,(H,20,22)/b17-10+,18-12-
InChIKeyIKGDGCJXIOCCQU-ZCCSIIRNSA-N
MW337.40 g/mol
LogP1.94
Rot. Bonds4

About (2Z,5E)-5-benzylidene-2-[2-(3-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one

(2Z,5E)-5-benzylidene-2-[2-(3-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one (PubChem CID 22302335) has the molecular formula C19H15NO3S and a molecular weight of 337.40 g/mol. Its IUPAC name is (2Z,5E)-5-benzylidene-2-[2-(3-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z,5E)-5-benzylidene-2-[2-(3-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
PubChem CID22302335
Molecular FormulaC19H15NO3S
Molecular Weight337.40 g/mol
Exact Mass337.08
IUPAC Name(2Z,5E)-5-benzylidene-2-[2-(3-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
SMILESCOc1cccc(C(=O)/C=c2/[nH]c(=O)/c(=C\c3ccccc3)s2)c1
InChIInChI=1S/C19H15NO3S/c1-23-15-9-5-8-14(11-15)16(21)12-18-20-19(22)17(24-18)10-13-6-3-2-4-7-13/h2-12H,1H3,(H,20,22)/b17-10+,18-12-
InChIKeyIKGDGCJXIOCCQU-ZCCSIIRNSA-N
XLogP1.94
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2Z,5Z)-2-[2-(4-chlorophenyl)-2-oxoethylidene]-5-[(3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 8830998
(2Z,5Z)-5-[(3,5-dimethoxyphenyl)methylidene]-2-[2-(3,5-dimethoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 6213444
2-[3-[(E)-[(2Z)-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid
CID 154860635
4-[(Z)-[(2Z)-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-4-oxo-1,3-thiazolidin-5-ylidene]methyl]benzoic acid
CID 98392894
(2E,5E)-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-5-(naphthalen-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 8829864
5-[(4-fluorophenyl)methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 4793378
5-benzylidene-2-[2-(4-tert-butylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 2818920
5-[(2,6-dichlorophenyl)methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 4851772
(2Z,5Z)-2-[2-(3-chlorophenyl)-2-oxoethylidene]-5-[(4-ethylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 8832477
(2E,5E)-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-5-[(5-methylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 8016933
N-[3-[(Z)-[(2E)-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenyl]-4-methoxybenzamide
CID 98687732
(2Z,5Z)-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-5-[(4-methoxy-3-propoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 16554365

Frequently Asked Questions

What is the IUPAC name of (2Z,5E)-5-benzylidene-2-[2-(3-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z,5E)-5-benzylidene-2-[2-(3-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one (CID 22302335) is (2Z,5E)-5-benzylidene-2-[2-(3-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z,5E)-5-benzylidene-2-[2-(3-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z,5E)-5-benzylidene-2-[2-(3-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one is COc1cccc(C(=O)/C=c2/[nH]c(=O)/c(=C\c3ccccc3)s2)c1.
What is the InChIKey of (2Z,5E)-5-benzylidene-2-[2-(3-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one?
The InChIKey is IKGDGCJXIOCCQU-ZCCSIIRNSA-N. The full InChI is InChI=1S/C19H15NO3S/c1-23-15-9-5-8-14(11-15)16(21)12-18-20-19(22)17(24-18)10-13-6-3-2-4-7-13/h2-12H,1H3,(H,20,22)/b17-10+,18-12-.
What are the key properties of (2Z,5E)-5-benzylidene-2-[2-(3-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one?
(2Z,5E)-5-benzylidene-2-[2-(3-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one has a molecular weight of 337.40 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5E)-5-benzylidene-2-[2-(3-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 22302335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).