(5Z)-2-amino-5-[[5-[4-(4-methoxyphenyl)phenyl]-1H-pyrazol-4-yl]methylidene]-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one

C23H19N5O2S2 — CID 139322072

About (5Z)-2-amino-5-[[5-[4-(4-methoxyphenyl)phenyl]-1H-pyrazol-4-yl]methylidene]-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one

(5Z)-2-amino-5-[[5-[4-(4-methoxyphenyl)phenyl]-1H-pyrazol-4-yl]methylidene]-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one (PubChem CID 139322072) has the molecular formula C23H19N5O2S2 and a molecular weight of 461.57 g/mol. Its IUPAC name is (5Z)-2-amino-5-[[5-[4-(4-methoxyphenyl)phenyl]-1H-pyrazol-4-yl]methylidene]-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (5Z)-2-amino-5-[[5-[4-(4-methoxyphenyl)phenyl]-1H-pyrazol-4-yl]methylidene]-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
• PubChem CID: 139322072
• Molecular Formula: C23H19N5O2S2
• Molecular Weight: 461.57 g/mol
• Exact Mass: 461.10
• IUPAC Name: (5Z)-2-amino-5-[[5-[4-(4-methoxyphenyl)phenyl]-1H-pyrazol-4-yl]methylidene]-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
• SMILES: COc1ccc(-c2ccc(-c3[nH]ncc3/C=C3\SC(N)N(c4nccs4)C3=O)cc2)cc1
• InChI: InChI=1S/C23H19N5O2S2/c1-30-18-8-6-15(7-9-18)14-2-4-16(5-3-14)20-17(13-26-27-20)12-19-21(29)28(22(24)32-19)23-25-10-11-31-23/h2-13,22H,24H2,1H3,(H,26,27)/b19-12-
• InChIKey: WSAXWGRANQHJFB-UNOMPAQXSA-N
• XLogP: 4.57
• TPSA: 97.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	461.57
LogP ≤ 5	4.57
H-Bond Donors ≤ 5	2
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 (5Z)-2-amino-5-[[5-[4-(4-methoxyphenyl)phenyl]-1H-pyrazol-4-yl]methylidene]-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one?

The IUPAC name of (5Z)-2-amino-5-[[5-[4-(4-methoxyphenyl)phenyl]-1H-pyrazol-4-yl]methylidene]-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one (CID 139322072) is (5Z)-2-amino-5-[[5-[4-(4-methoxyphenyl)phenyl]-1H-pyrazol-4-yl]methylidene]-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one.

What is the SMILES notation for (5Z)-2-amino-5-[[5-[4-(4-methoxyphenyl)phenyl]-1H-pyrazol-4-yl]methylidene]-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one?

The canonical SMILES for (5Z)-2-amino-5-[[5-[4-(4-methoxyphenyl)phenyl]-1H-pyrazol-4-yl]methylidene]-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one is COc1ccc(-c2ccc(-c3[nH]ncc3/C=C3\SC(N)N(c4nccs4)C3=O)cc2)cc1.

What is the InChIKey of (5Z)-2-amino-5-[[5-[4-(4-methoxyphenyl)phenyl]-1H-pyrazol-4-yl]methylidene]-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one?

The InChIKey is WSAXWGRANQHJFB-UNOMPAQXSA-N. The full InChI is InChI=1S/C23H19N5O2S2/c1-30-18-8-6-15(7-9-18)14-2-4-16(5-3-14)20-17(13-26-27-20)12-19-21(29)28(22(24)32-19)23-25-10-11-31-23/h2-13,22H,24H2,1H3,(H,26,27)/b19-12-.

What are the key properties of (5Z)-2-amino-5-[[5-[4-(4-methoxyphenyl)phenyl]-1H-pyrazol-4-yl]methylidene]-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one?

(5Z)-2-amino-5-[[5-[4-(4-methoxyphenyl)phenyl]-1H-pyrazol-4-yl]methylidene]-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one has a molecular weight of 461.57 g/mol, XLogP of 4.57, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-2-amino-5-[[5-[4-(4-methoxyphenyl)phenyl]-1H-pyrazol-4-yl]methylidene]-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 139322072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).