(5Z)-5-[(5-chloro-2-phenylmethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione

C17H12ClNO3S — CID 16634008

IUPAC(5Z)-5-[(5-chloro-2-phenylmethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2cc(Cl)ccc2OCc2ccccc2)S1
InChIInChI=1S/C17H12ClNO3S/c18-13-6-7-14(22-10-11-4-2-1-3-5-11)12(8-13)9-15-16(20)19-17(21)23-15/h1-9H,10H2,(H,19,20,21)/b15-9-
InChIKeyOVELZDQGMGPZBH-DHDCSXOGSA-N
MW345.81 g/mol
LogP4.24
Rot. Bonds4

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

(5Z)-5-[(5-chloro-2-phenylmethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 16634008) has the molecular formula C17H12ClNO3S and a molecular weight of 345.81 g/mol. Its IUPAC name is (5Z)-5-[(5-chloro-2-phenylmethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[(5-chloro-2-phenylmethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID16634008
Molecular FormulaC17H12ClNO3S
Molecular Weight345.81 g/mol
Exact Mass345.02
IUPAC Name(5Z)-5-[(5-chloro-2-phenylmethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2cc(Cl)ccc2OCc2ccccc2)S1
InChIInChI=1S/C17H12ClNO3S/c18-13-6-7-14(22-10-11-4-2-1-3-5-11)12(8-13)9-15-16(20)19-17(21)23-15/h1-9H,10H2,(H,19,20,21)/b15-9-
InChIKeyOVELZDQGMGPZBH-DHDCSXOGSA-N
XLogP4.24
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.81
LogP ≤ 54.24
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(5-chloro-2-phenylmethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[(5-chloro-2-phenylmethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione (CID 16634008) is (5Z)-5-[(5-chloro-2-phenylmethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[(5-chloro-2-phenylmethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[(5-chloro-2-phenylmethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)/C(=C/c2cc(Cl)ccc2OCc2ccccc2)S1.
What is the InChIKey of (5Z)-5-[(5-chloro-2-phenylmethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is OVELZDQGMGPZBH-DHDCSXOGSA-N. The full InChI is InChI=1S/C17H12ClNO3S/c18-13-6-7-14(22-10-11-4-2-1-3-5-11)12(8-13)9-15-16(20)19-17(21)23-15/h1-9H,10H2,(H,19,20,21)/b15-9-.
What are the key properties of (5Z)-5-[(5-chloro-2-phenylmethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[(5-chloro-2-phenylmethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 345.81 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(5-chloro-2-phenylmethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 16634008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).