(5Z)-2-amino-5-[[3-(9-ethylcarbazol-3-yl)-1-phenylpyrazol-4-yl]methylidene]-1,3-thiazol-4-one

C27H21N5OS — CID 2308253

About (5Z)-2-amino-5-[[3-(9-ethylcarbazol-3-yl)-1-phenylpyrazol-4-yl]methylidene]-1,3-thiazol-4-one

(5Z)-2-amino-5-[[3-(9-ethylcarbazol-3-yl)-1-phenylpyrazol-4-yl]methylidene]-1,3-thiazol-4-one (PubChem CID 2308253) has the molecular formula C27H21N5OS and a molecular weight of 463.57 g/mol. Its IUPAC name is (5Z)-2-amino-5-[[3-(9-ethylcarbazol-3-yl)-1-phenylpyrazol-4-yl]methylidene]-1,3-thiazol-4-one.

Molecular Properties

• Compound Name: (5Z)-2-amino-5-[[3-(9-ethylcarbazol-3-yl)-1-phenylpyrazol-4-yl]methylidene]-1,3-thiazol-4-one
• PubChem CID: 2308253
• Molecular Formula: C27H21N5OS
• Molecular Weight: 463.57 g/mol
• Exact Mass: 463.15
• IUPAC Name: (5Z)-2-amino-5-[[3-(9-ethylcarbazol-3-yl)-1-phenylpyrazol-4-yl]methylidene]-1,3-thiazol-4-one
• SMILES: CCn1c2ccccc2c2cc(-c3nn(-c4ccccc4)cc3/C=C3\SC(N)=NC3=O)ccc21
• InChI: InChI=1S/C27H21N5OS/c1-2-31-22-11-7-6-10-20(22)21-14-17(12-13-23(21)31)25-18(15-24-26(33)29-27(28)34-24)16-32(30-25)19-8-4-3-5-9-19/h3-16H,2H2,1H3,(H2,28,29,33)/b24-15-
• InChIKey: ZIVORFPEIOANLW-IWIPYMOSSA-N
• XLogP: 5.60
• TPSA: 78.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	463.57
LogP ≤ 5	5.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'ene_five_het_B(90)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-amino-5-[[3-(9-ethylcarbazol-3-yl)-1-phenylpyrazol-4-yl]methylidene]-1,3-thiazol-4-one?

The IUPAC name of (5Z)-2-amino-5-[[3-(9-ethylcarbazol-3-yl)-1-phenylpyrazol-4-yl]methylidene]-1,3-thiazol-4-one (CID 2308253) is (5Z)-2-amino-5-[[3-(9-ethylcarbazol-3-yl)-1-phenylpyrazol-4-yl]methylidene]-1,3-thiazol-4-one.

What is the SMILES notation for (5Z)-2-amino-5-[[3-(9-ethylcarbazol-3-yl)-1-phenylpyrazol-4-yl]methylidene]-1,3-thiazol-4-one?

The canonical SMILES for (5Z)-2-amino-5-[[3-(9-ethylcarbazol-3-yl)-1-phenylpyrazol-4-yl]methylidene]-1,3-thiazol-4-one is CCn1c2ccccc2c2cc(-c3nn(-c4ccccc4)cc3/C=C3\SC(N)=NC3=O)ccc21.

What is the InChIKey of (5Z)-2-amino-5-[[3-(9-ethylcarbazol-3-yl)-1-phenylpyrazol-4-yl]methylidene]-1,3-thiazol-4-one?

The InChIKey is ZIVORFPEIOANLW-IWIPYMOSSA-N. The full InChI is InChI=1S/C27H21N5OS/c1-2-31-22-11-7-6-10-20(22)21-14-17(12-13-23(21)31)25-18(15-24-26(33)29-27(28)34-24)16-32(30-25)19-8-4-3-5-9-19/h3-16H,2H2,1H3,(H2,28,29,33)/b24-15-.

What are the key properties of (5Z)-2-amino-5-[[3-(9-ethylcarbazol-3-yl)-1-phenylpyrazol-4-yl]methylidene]-1,3-thiazol-4-one?

(5Z)-2-amino-5-[[3-(9-ethylcarbazol-3-yl)-1-phenylpyrazol-4-yl]methylidene]-1,3-thiazol-4-one has a molecular weight of 463.57 g/mol, XLogP of 5.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-2-amino-5-[[3-(9-ethylcarbazol-3-yl)-1-phenylpyrazol-4-yl]methylidene]-1,3-thiazol-4-one is sourced from PubChem (CID 2308253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).