(5Z)-3-(2,4-dimethylphenyl)-5-[(3-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione

C19H17NO3S — CID 18839849

IUPAC(5Z)-3-(2,4-dimethylphenyl)-5-[(3-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESCOc1cccc(/C=C2\SC(=O)N(c3ccc(C)cc3C)C2=O)c1
InChIInChI=1S/C19H17NO3S/c1-12-7-8-16(13(2)9-12)20-18(21)17(24-19(20)22)11-14-5-4-6-15(10-14)23-3/h4-11H,1-3H3/b17-11-
InChIKeyMPHIHSMHURRIPC-BOPFTXTBSA-N
MW339.42 g/mol
LogP4.55
Rot. Bonds3

About (5Z)-3-(2,4-dimethylphenyl)-5-[(3-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione

(5Z)-3-(2,4-dimethylphenyl)-5-[(3-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 18839849) has the molecular formula C19H17NO3S and a molecular weight of 339.42 g/mol. Its IUPAC name is (5Z)-3-(2,4-dimethylphenyl)-5-[(3-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-3-(2,4-dimethylphenyl)-5-[(3-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID18839849
Molecular FormulaC19H17NO3S
Molecular Weight339.42 g/mol
Exact Mass339.09
IUPAC Name(5Z)-3-(2,4-dimethylphenyl)-5-[(3-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESCOc1cccc(/C=C2\SC(=O)N(c3ccc(C)cc3C)C2=O)c1
InChIInChI=1S/C19H17NO3S/c1-12-7-8-16(13(2)9-12)20-18(21)17(24-19(20)22)11-14-5-4-6-15(10-14)23-3/h4-11H,1-3H3/b17-11-
InChIKeyMPHIHSMHURRIPC-BOPFTXTBSA-N
XLogP4.55
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

5-[(3-methoxyphenyl)methylidene]-3-(2-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 5096172
2-[3-[(E)-[3-(4-hydroxy-2-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid
CID 27415665
(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-(2,4-dimethylphenyl)-1,3-thiazolidine-2,4-dione
CID 18839916
(5Z)-5-[(3-chlorophenyl)methylidene]-3-(3-methoxyphenyl)-1,3-thiazolidine-2,4-dione
CID 18837319
(5Z)-3-(4-methoxyphenyl)-5-[[3-[(4-methylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 18837383
(5Z)-5-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-(2,5-dimethylphenyl)-1,3-thiazolidine-2,4-dione
CID 18839966
(5E)-3-(3-methoxyphenyl)-5-[(3-methylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 46666261
3-(2,4-dimethoxyphenyl)-5-[(3-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 4514383
2-[3-[(E)-[3-(2,4-dimethylphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenoxy]butanoic acid
CID 43862194
3-(4-methoxyphenyl)-5-[(3-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1360445
(5Z)-5-[(3-methoxyphenyl)methylidene]-3-[(2-methylanilino)methyl]-1,3-thiazolidine-2,4-dione
CID 98207840
3-(2,4-dimethylphenyl)-5-[(4-methylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 5159225

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-(2,4-dimethylphenyl)-5-[(3-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-3-(2,4-dimethylphenyl)-5-[(3-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione (CID 18839849) is (5Z)-3-(2,4-dimethylphenyl)-5-[(3-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-3-(2,4-dimethylphenyl)-5-[(3-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-3-(2,4-dimethylphenyl)-5-[(3-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione is COc1cccc(/C=C2\SC(=O)N(c3ccc(C)cc3C)C2=O)c1.
What is the InChIKey of (5Z)-3-(2,4-dimethylphenyl)-5-[(3-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is MPHIHSMHURRIPC-BOPFTXTBSA-N. The full InChI is InChI=1S/C19H17NO3S/c1-12-7-8-16(13(2)9-12)20-18(21)17(24-19(20)22)11-14-5-4-6-15(10-14)23-3/h4-11H,1-3H3/b17-11-.
What are the key properties of (5Z)-3-(2,4-dimethylphenyl)-5-[(3-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-3-(2,4-dimethylphenyl)-5-[(3-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 339.42 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-(2,4-dimethylphenyl)-5-[(3-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 18839849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).