(5Z)-5-[(2-chlorophenyl)methylidene]-3-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)methyl]-1,3-thiazolidine-2,4-dione

C20H15ClN2O5S2 — CID 2309674

IUPAC(5Z)-5-[(2-chlorophenyl)methylidene]-3-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)methyl]-1,3-thiazolidine-2,4-dione
SMILESCCS(=O)(=O)c1ccc2oc(CN3C(=O)S/C(=C\c4ccccc4Cl)C3=O)nc2c1
InChIInChI=1S/C20H15ClN2O5S2/c1-2-30(26,27)13-7-8-16-15(10-13)22-18(28-16)11-23-19(24)17(29-20(23)25)9-12-5-3-4-6-14(12)21/h3-10H,2,11H2,1H3/b17-9-
InChIKeyOGKGJUTVALXYEV-MFOYZWKCSA-N
MW462.94 g/mol
LogP4.51
Rot. Bonds5

About (5Z)-5-[(2-chlorophenyl)methylidene]-3-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)methyl]-1,3-thiazolidine-2,4-dione

(5Z)-5-[(2-chlorophenyl)methylidene]-3-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 2309674) has the molecular formula C20H15ClN2O5S2 and a molecular weight of 462.94 g/mol. Its IUPAC name is (5Z)-5-[(2-chlorophenyl)methylidene]-3-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[(2-chlorophenyl)methylidene]-3-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)methyl]-1,3-thiazolidine-2,4-dione
PubChem CID2309674
Molecular FormulaC20H15ClN2O5S2
Molecular Weight462.94 g/mol
Exact Mass462.01
IUPAC Name(5Z)-5-[(2-chlorophenyl)methylidene]-3-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)methyl]-1,3-thiazolidine-2,4-dione
SMILESCCS(=O)(=O)c1ccc2oc(CN3C(=O)S/C(=C\c4ccccc4Cl)C3=O)nc2c1
InChIInChI=1S/C20H15ClN2O5S2/c1-2-30(26,27)13-7-8-16-15(10-13)22-18(28-16)11-23-19(24)17(29-20(23)25)9-12-5-3-4-6-14(12)21/h3-10H,2,11H2,1H3/b17-9-
InChIKeyOGKGJUTVALXYEV-MFOYZWKCSA-N
XLogP4.51
TPSA97.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.94
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (5Z)-5-[(2-chlorophenyl)methylidene]-3-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)methyl]-1,3-thiazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(2-chlorophenyl)methylidene]-3-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)methyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[(2-chlorophenyl)methylidene]-3-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)methyl]-1,3-thiazolidine-2,4-dione (CID 2309674) is (5Z)-5-[(2-chlorophenyl)methylidene]-3-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)methyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[(2-chlorophenyl)methylidene]-3-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)methyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[(2-chlorophenyl)methylidene]-3-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)methyl]-1,3-thiazolidine-2,4-dione is CCS(=O)(=O)c1ccc2oc(CN3C(=O)S/C(=C\c4ccccc4Cl)C3=O)nc2c1.
What is the InChIKey of (5Z)-5-[(2-chlorophenyl)methylidene]-3-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)methyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is OGKGJUTVALXYEV-MFOYZWKCSA-N. The full InChI is InChI=1S/C20H15ClN2O5S2/c1-2-30(26,27)13-7-8-16-15(10-13)22-18(28-16)11-23-19(24)17(29-20(23)25)9-12-5-3-4-6-14(12)21/h3-10H,2,11H2,1H3/b17-9-.
What are the key properties of (5Z)-5-[(2-chlorophenyl)methylidene]-3-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)methyl]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[(2-chlorophenyl)methylidene]-3-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 462.94 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(2-chlorophenyl)methylidene]-3-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 2309674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).