(2Z)-2-[(5E)-5-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-(furan-2-ylmethyl)acetamide

C33H22ClN5O3S — CID 18807102

About (2Z)-2-[(5E)-5-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-(furan-2-ylmethyl)acetamide

(2Z)-2-[(5E)-5-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-(furan-2-ylmethyl)acetamide (PubChem CID 18807102) has the molecular formula C33H22ClN5O3S and a molecular weight of 604.09 g/mol. Its IUPAC name is (2Z)-2-[(5E)-5-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

• Compound Name: (2Z)-2-[(5E)-5-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-(furan-2-ylmethyl)acetamide
• PubChem CID: 18807102
• Molecular Formula: C33H22ClN5O3S
• Molecular Weight: 604.09 g/mol
• Exact Mass: 603.11
• IUPAC Name: (2Z)-2-[(5E)-5-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-(furan-2-ylmethyl)acetamide
• SMILES: N#C/C(C(=O)NCc1ccco1)=c1/s/c(=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)c(=O)n1-c1ccccc1
• InChI: InChI=1S/C33H22ClN5O3S/c34-24-15-13-22(14-16-24)30-23(21-38(37-30)25-8-3-1-4-9-25)18-29-32(41)39(26-10-5-2-6-11-26)33(43-29)28(19-35)31(40)36-20-27-12-7-17-42-27/h1-18,21H,20H2,(H,36,40)/b29-18+,33-28-
• InChIKey: NYUQBRISNXMRIJ-VURFZWMOSA-N
• XLogP: 4.82
• TPSA: 105.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	604.09
LogP ≤ 5	4.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(5E)-5-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-(furan-2-ylmethyl)acetamide?

The IUPAC name of (2Z)-2-[(5E)-5-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-(furan-2-ylmethyl)acetamide (CID 18807102) is (2Z)-2-[(5E)-5-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-(furan-2-ylmethyl)acetamide.

What is the SMILES notation for (2Z)-2-[(5E)-5-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-(furan-2-ylmethyl)acetamide?

The canonical SMILES for (2Z)-2-[(5E)-5-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-(furan-2-ylmethyl)acetamide is N#C/C(C(=O)NCc1ccco1)=c1/s/c(=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)c(=O)n1-c1ccccc1.

What is the InChIKey of (2Z)-2-[(5E)-5-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-(furan-2-ylmethyl)acetamide?

The InChIKey is NYUQBRISNXMRIJ-VURFZWMOSA-N. The full InChI is InChI=1S/C33H22ClN5O3S/c34-24-15-13-22(14-16-24)30-23(21-38(37-30)25-8-3-1-4-9-25)18-29-32(41)39(26-10-5-2-6-11-26)33(43-29)28(19-35)31(40)36-20-27-12-7-17-42-27/h1-18,21H,20H2,(H,36,40)/b29-18+,33-28-.

What are the key properties of (2Z)-2-[(5E)-5-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-(furan-2-ylmethyl)acetamide?

(2Z)-2-[(5E)-5-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-(furan-2-ylmethyl)acetamide has a molecular weight of 604.09 g/mol, XLogP of 4.82, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z)-2-[(5E)-5-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 18807102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).