2-morpholin-4-yl-N-(6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino)-1,3-thiazole-4-carboxamide

C19H22N4O2S — CID 71903261

About 2-morpholin-4-yl-N-(6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino)-1,3-thiazole-4-carboxamide

2-morpholin-4-yl-N-(6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino)-1,3-thiazole-4-carboxamide (PubChem CID 71903261) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-(6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino)-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-morpholin-4-yl-N-(6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino)-1,3-thiazole-4-carboxamide
• PubChem CID: 71903261
• Molecular Formula: C19H22N4O2S
• Molecular Weight: 370.48 g/mol
• Exact Mass: 370.15
• IUPAC Name: 2-morpholin-4-yl-N-(6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino)-1,3-thiazole-4-carboxamide
• SMILES: O=C(NN=C1CCCCc2ccccc21)c1csc(N2CCOCC2)n1
• InChI: InChI=1S/C19H22N4O2S/c24-18(17-13-26-19(20-17)23-9-11-25-12-10-23)22-21-16-8-4-2-6-14-5-1-3-7-15(14)16/h1,3,5,7,13H,2,4,6,8-12H2,(H,22,24)
• InChIKey: FNWRYBHLUJJLGI-UHFFFAOYSA-N
• XLogP: 2.84
• TPSA: 66.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.48
LogP ≤ 5	2.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'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 2-morpholin-4-yl-N-(6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino)-1,3-thiazole-4-carboxamide?

The IUPAC name of 2-morpholin-4-yl-N-(6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino)-1,3-thiazole-4-carboxamide (CID 71903261) is 2-morpholin-4-yl-N-(6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino)-1,3-thiazole-4-carboxamide.

What is the SMILES notation for 2-morpholin-4-yl-N-(6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino)-1,3-thiazole-4-carboxamide?

The canonical SMILES for 2-morpholin-4-yl-N-(6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino)-1,3-thiazole-4-carboxamide is O=C(NN=C1CCCCc2ccccc21)c1csc(N2CCOCC2)n1.

What is the InChIKey of 2-morpholin-4-yl-N-(6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino)-1,3-thiazole-4-carboxamide?

The InChIKey is FNWRYBHLUJJLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c24-18(17-13-26-19(20-17)23-9-11-25-12-10-23)22-21-16-8-4-2-6-14-5-1-3-7-15(14)16/h1,3,5,7,13H,2,4,6,8-12H2,(H,22,24).

What are the key properties of 2-morpholin-4-yl-N-(6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino)-1,3-thiazole-4-carboxamide?

2-morpholin-4-yl-N-(6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino)-1,3-thiazole-4-carboxamide has a molecular weight of 370.48 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-morpholin-4-yl-N-(6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71903261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).