N-[2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-phenyl-1,3-thiazol-5-yl]thiophene-2-carboxamide

C21H16N4O2S2 — CID 135555294

About N-[2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-phenyl-1,3-thiazol-5-yl]thiophene-2-carboxamide

N-[2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-phenyl-1,3-thiazol-5-yl]thiophene-2-carboxamide (PubChem CID 135555294) has the molecular formula C21H16N4O2S2 and a molecular weight of 420.52 g/mol. Its IUPAC name is N-[2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-phenyl-1,3-thiazol-5-yl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-phenyl-1,3-thiazol-5-yl]thiophene-2-carboxamide
• PubChem CID: 135555294
• Molecular Formula: C21H16N4O2S2
• Molecular Weight: 420.52 g/mol
• Exact Mass: 420.07
• IUPAC Name: N-[2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-phenyl-1,3-thiazol-5-yl]thiophene-2-carboxamide
• SMILES: O=C(Nc1sc(N/N=C/c2ccc(O)cc2)nc1-c1ccccc1)c1cccs1
• InChI: InChI=1S/C21H16N4O2S2/c26-16-10-8-14(9-11-16)13-22-25-21-23-18(15-5-2-1-3-6-15)20(29-21)24-19(27)17-7-4-12-28-17/h1-13,26H,(H,23,25)(H,24,27)/b22-13+
• InChIKey: GQIPCUUNRASBJJ-LPYMAVHISA-N
• XLogP: 5.28
• TPSA: 86.61 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	420.52
LogP ≤ 5	5.28
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-phenyl-1,3-thiazol-5-yl]thiophene-2-carboxamide?

The IUPAC name of N-[2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-phenyl-1,3-thiazol-5-yl]thiophene-2-carboxamide (CID 135555294) is N-[2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-phenyl-1,3-thiazol-5-yl]thiophene-2-carboxamide.

What is the SMILES notation for N-[2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-phenyl-1,3-thiazol-5-yl]thiophene-2-carboxamide?

The canonical SMILES for N-[2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-phenyl-1,3-thiazol-5-yl]thiophene-2-carboxamide is O=C(Nc1sc(N/N=C/c2ccc(O)cc2)nc1-c1ccccc1)c1cccs1.

What is the InChIKey of N-[2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-phenyl-1,3-thiazol-5-yl]thiophene-2-carboxamide?

The InChIKey is GQIPCUUNRASBJJ-LPYMAVHISA-N. The full InChI is InChI=1S/C21H16N4O2S2/c26-16-10-8-14(9-11-16)13-22-25-21-23-18(15-5-2-1-3-6-15)20(29-21)24-19(27)17-7-4-12-28-17/h1-13,26H,(H,23,25)(H,24,27)/b22-13+.

What are the key properties of N-[2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-phenyl-1,3-thiazol-5-yl]thiophene-2-carboxamide?

N-[2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-phenyl-1,3-thiazol-5-yl]thiophene-2-carboxamide has a molecular weight of 420.52 g/mol, XLogP of 5.28, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-phenyl-1,3-thiazol-5-yl]thiophene-2-carboxamide is sourced from PubChem (CID 135555294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).