ethyl (2Z)-2-[3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate

C16H14ClN3O4S — CID 7667822

About ethyl (2Z)-2-[3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate

ethyl (2Z)-2-[3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate (PubChem CID 7667822) has the molecular formula C16H14ClN3O4S and a molecular weight of 379.83 g/mol. Its IUPAC name is ethyl (2Z)-2-[3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate.

Molecular Properties

• Compound Name: ethyl (2Z)-2-[3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
• PubChem CID: 7667822
• Molecular Formula: C16H14ClN3O4S
• Molecular Weight: 379.83 g/mol
• Exact Mass: 379.04
• IUPAC Name: ethyl (2Z)-2-[3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
• SMILES: CCOC(=O)/C=C1\SCC(=O)N1Cc1nnc(-c2ccc(Cl)cc2)o1
• InChI: InChI=1S/C16H14ClN3O4S/c1-2-23-15(22)7-14-20(13(21)9-25-14)8-12-18-19-16(24-12)10-3-5-11(17)6-4-10/h3-7H,2,8-9H2,1H3/b14-7-
• InChIKey: ZGUUHHPEJDLCQC-AUWJEWJLSA-N
• XLogP: 2.87
• TPSA: 85.53 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.83
LogP ≤ 5	2.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-[3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate?

The IUPAC name of ethyl (2Z)-2-[3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate (CID 7667822) is ethyl (2Z)-2-[3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate.

What is the SMILES notation for ethyl (2Z)-2-[3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate?

The canonical SMILES for ethyl (2Z)-2-[3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate is CCOC(=O)/C=C1\SCC(=O)N1Cc1nnc(-c2ccc(Cl)cc2)o1.

What is the InChIKey of ethyl (2Z)-2-[3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate?

The InChIKey is ZGUUHHPEJDLCQC-AUWJEWJLSA-N. The full InChI is InChI=1S/C16H14ClN3O4S/c1-2-23-15(22)7-14-20(13(21)9-25-14)8-12-18-19-16(24-12)10-3-5-11(17)6-4-10/h3-7H,2,8-9H2,1H3/b14-7-.

What are the key properties of ethyl (2Z)-2-[3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate?

ethyl (2Z)-2-[3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate has a molecular weight of 379.83 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (2Z)-2-[3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate is sourced from PubChem (CID 7667822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).