3-[2-[(2Z)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]chromen-2-one

C21H14N4O2S — CID 171979289

About 3-[2-[(2Z)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]chromen-2-one

3-[2-[(2Z)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]chromen-2-one (PubChem CID 171979289) has the molecular formula C21H14N4O2S and a molecular weight of 386.44 g/mol. Its IUPAC name is 3-[2-[(2Z)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]chromen-2-one.

Molecular Properties

• Compound Name: 3-[2-[(2Z)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]chromen-2-one
• PubChem CID: 171979289
• Molecular Formula: C21H14N4O2S
• Molecular Weight: 386.44 g/mol
• Exact Mass: 386.08
• IUPAC Name: 3-[2-[(2Z)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]chromen-2-one
• SMILES: O=c1oc2ccccc2cc1-c1csc(N/N=C\c2c[nH]c3ccccc23)n1
• InChI: InChI=1S/C21H14N4O2S/c26-20-16(9-13-5-1-4-8-19(13)27-20)18-12-28-21(24-18)25-23-11-14-10-22-17-7-3-2-6-15(14)17/h1-12,22H,(H,24,25)/b23-11-
• InChIKey: SKGZDZIGEXUKQM-KSEXSDGBSA-N
• XLogP: 4.84
• TPSA: 83.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.44
LogP ≤ 5	4.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hzone_thiophene_A(11)', 'substructure': 'N/A'}, {'alert_name': 'cumarine', '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 3-[2-[(2Z)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]chromen-2-one?

The IUPAC name of 3-[2-[(2Z)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]chromen-2-one (CID 171979289) is 3-[2-[(2Z)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]chromen-2-one.

What is the SMILES notation for 3-[2-[(2Z)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]chromen-2-one?

The canonical SMILES for 3-[2-[(2Z)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]chromen-2-one is O=c1oc2ccccc2cc1-c1csc(N/N=C\c2c[nH]c3ccccc23)n1.

What is the InChIKey of 3-[2-[(2Z)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]chromen-2-one?

The InChIKey is SKGZDZIGEXUKQM-KSEXSDGBSA-N. The full InChI is InChI=1S/C21H14N4O2S/c26-20-16(9-13-5-1-4-8-19(13)27-20)18-12-28-21(24-18)25-23-11-14-10-22-17-7-3-2-6-15(14)17/h1-12,22H,(H,24,25)/b23-11-.

What are the key properties of 3-[2-[(2Z)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]chromen-2-one?

3-[2-[(2Z)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]chromen-2-one has a molecular weight of 386.44 g/mol, XLogP of 4.84, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[(2Z)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]chromen-2-one is sourced from PubChem (CID 171979289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).