(5Z)-5-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-4-hydroxy-1,3-thiazolidin-2-one

C17H13Cl2NO3S — CID 142089328

IUPAC(5Z)-5-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-4-hydroxy-1,3-thiazolidin-2-one
SMILESO=C1NC(O)/C(=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)S1
InChIInChI=1S/C17H13Cl2NO3S/c18-13-6-3-11(7-14(13)19)9-23-12-4-1-10(2-5-12)8-15-16(21)20-17(22)24-15/h1-8,16,21H,9H2,(H,20,22)/b15-8-
InChIKeyJYOPCKHCPFOKGF-NVNXTCNLSA-N
MW382.27 g/mol
LogP4.69
Rot. Bonds4

About (5Z)-5-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-4-hydroxy-1,3-thiazolidin-2-one

(5Z)-5-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-4-hydroxy-1,3-thiazolidin-2-one (PubChem CID 142089328) has the molecular formula C17H13Cl2NO3S and a molecular weight of 382.27 g/mol. Its IUPAC name is (5Z)-5-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-4-hydroxy-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name(5Z)-5-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-4-hydroxy-1,3-thiazolidin-2-one
PubChem CID142089328
Molecular FormulaC17H13Cl2NO3S
Molecular Weight382.27 g/mol
Exact Mass381.00
IUPAC Name(5Z)-5-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-4-hydroxy-1,3-thiazolidin-2-one
SMILESO=C1NC(O)/C(=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)S1
InChIInChI=1S/C17H13Cl2NO3S/c18-13-6-3-11(7-14(13)19)9-23-12-4-1-10(2-5-12)8-15-16(21)20-17(22)24-15/h1-8,16,21H,9H2,(H,20,22)/b15-8-
InChIKeyJYOPCKHCPFOKGF-NVNXTCNLSA-N
XLogP4.69
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.27
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-4-hydroxy-1,3-thiazolidin-2-one?
The IUPAC name of (5Z)-5-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-4-hydroxy-1,3-thiazolidin-2-one (CID 142089328) is (5Z)-5-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-4-hydroxy-1,3-thiazolidin-2-one.
What is the SMILES notation for (5Z)-5-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-4-hydroxy-1,3-thiazolidin-2-one?
The canonical SMILES for (5Z)-5-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-4-hydroxy-1,3-thiazolidin-2-one is O=C1NC(O)/C(=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)S1.
What is the InChIKey of (5Z)-5-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-4-hydroxy-1,3-thiazolidin-2-one?
The InChIKey is JYOPCKHCPFOKGF-NVNXTCNLSA-N. The full InChI is InChI=1S/C17H13Cl2NO3S/c18-13-6-3-11(7-14(13)19)9-23-12-4-1-10(2-5-12)8-15-16(21)20-17(22)24-15/h1-8,16,21H,9H2,(H,20,22)/b15-8-.
What are the key properties of (5Z)-5-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-4-hydroxy-1,3-thiazolidin-2-one?
(5Z)-5-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-4-hydroxy-1,3-thiazolidin-2-one has a molecular weight of 382.27 g/mol, XLogP of 4.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-4-hydroxy-1,3-thiazolidin-2-one is sourced from PubChem (CID 142089328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).