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

C17H13NO5S — CID 18837183

IUPAC(5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-3-(2-methoxyphenyl)-1,3-thiazolidine-2,4-dione
SMILESCOc1ccccc1N1C(=O)S/C(=C\c2ccc(O)c(O)c2)C1=O
InChIInChI=1S/C17H13NO5S/c1-23-14-5-3-2-4-11(14)18-16(21)15(24-17(18)22)9-10-6-7-12(19)13(20)8-10/h2-9,19-20H,1H3/b15-9-
InChIKeyHUDNLBXSWXNGPF-DHDCSXOGSA-N
MW343.36 g/mol
LogP3.35
Rot. Bonds3

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

(5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-3-(2-methoxyphenyl)-1,3-thiazolidine-2,4-dione (PubChem CID 18837183) has the molecular formula C17H13NO5S and a molecular weight of 343.36 g/mol. Its IUPAC name is (5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-3-(2-methoxyphenyl)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-3-(2-methoxyphenyl)-1,3-thiazolidine-2,4-dione
PubChem CID18837183
Molecular FormulaC17H13NO5S
Molecular Weight343.36 g/mol
Exact Mass343.05
IUPAC Name(5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-3-(2-methoxyphenyl)-1,3-thiazolidine-2,4-dione
SMILESCOc1ccccc1N1C(=O)S/C(=C\c2ccc(O)c(O)c2)C1=O
InChIInChI=1S/C17H13NO5S/c1-23-14-5-3-2-4-11(14)18-16(21)15(24-17(18)22)9-10-6-7-12(19)13(20)8-10/h2-9,19-20H,1H3/b15-9-
InChIKeyHUDNLBXSWXNGPF-DHDCSXOGSA-N
XLogP3.35
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

(5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-(2-methoxyphenyl)-1,3-thiazolidine-2,4-dione
CID 6205029
(5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-3-(2-ethoxyphenyl)-1,3-thiazolidine-2,4-dione
CID 18837461
(5Z)-5-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-3-(2-methoxyphenyl)-1,3-thiazolidine-2,4-dione
CID 126063407
(5Z)-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-3-(2-methoxyphenyl)-1,3-thiazolidine-2,4-dione
CID 126065747
(5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-3-(2-fluorophenyl)-1,3-thiazolidine-2,4-dione
CID 18840156
(5Z)-5-[(3-fluorophenyl)methylidene]-3-(2-methoxyphenyl)-1,3-thiazolidine-2,4-dione
CID 18837226
3-(2-methoxyphenyl)-5-[(2,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 1318682
(5Z)-5-[(2-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-3-(2-methoxyphenyl)-1,3-thiazolidine-2,4-dione
CID 2176408
(5Z)-3-(2-methoxyphenyl)-5-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 126079101
(5Z)-3-(2-ethoxyphenyl)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 18837520
2-[2-chloro-4-[[3-(2-methoxyphenyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid
CID 1303577
(5Z)-3-(2-methoxyphenyl)-5-(pyridin-3-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 18837247

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-3-(2-methoxyphenyl)-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-3-(2-methoxyphenyl)-1,3-thiazolidine-2,4-dione (CID 18837183) is (5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-3-(2-methoxyphenyl)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-3-(2-methoxyphenyl)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-3-(2-methoxyphenyl)-1,3-thiazolidine-2,4-dione is COc1ccccc1N1C(=O)S/C(=C\c2ccc(O)c(O)c2)C1=O.
What is the InChIKey of (5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-3-(2-methoxyphenyl)-1,3-thiazolidine-2,4-dione?
The InChIKey is HUDNLBXSWXNGPF-DHDCSXOGSA-N. The full InChI is InChI=1S/C17H13NO5S/c1-23-14-5-3-2-4-11(14)18-16(21)15(24-17(18)22)9-10-6-7-12(19)13(20)8-10/h2-9,19-20H,1H3/b15-9-.
What are the key properties of (5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-3-(2-methoxyphenyl)-1,3-thiazolidine-2,4-dione?
(5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-3-(2-methoxyphenyl)-1,3-thiazolidine-2,4-dione has a molecular weight of 343.36 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-3-(2-methoxyphenyl)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 18837183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).