3,4-dimethyl-N-[2-[2-(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)hydrazinyl]-2-oxoethyl]benzamide

C19H23N5O4S — CID 24553651

About 3,4-dimethyl-N-[2-[2-(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)hydrazinyl]-2-oxoethyl]benzamide

3,4-dimethyl-N-[2-[2-(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)hydrazinyl]-2-oxoethyl]benzamide (PubChem CID 24553651) has the molecular formula C19H23N5O4S and a molecular weight of 417.49 g/mol. Its IUPAC name is 3,4-dimethyl-N-[2-[2-(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)hydrazinyl]-2-oxoethyl]benzamide.

Molecular Properties

• Compound Name: 3,4-dimethyl-N-[2-[2-(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)hydrazinyl]-2-oxoethyl]benzamide
• PubChem CID: 24553651
• Molecular Formula: C19H23N5O4S
• Molecular Weight: 417.49 g/mol
• Exact Mass: 417.15
• IUPAC Name: 3,4-dimethyl-N-[2-[2-(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)hydrazinyl]-2-oxoethyl]benzamide
• SMILES: Cc1ccc(C(=O)NCC(=O)NNC(=O)c2csc(N3CCOCC3)n2)cc1C
• InChI: InChI=1S/C19H23N5O4S/c1-12-3-4-14(9-13(12)2)17(26)20-10-16(25)22-23-18(27)15-11-29-19(21-15)24-5-7-28-8-6-24/h3-4,9,11H,5-8,10H2,1-2H3,(H,20,26)(H,22,25)(H,23,27)
• InChIKey: FBMVKUVUJGXQRP-UHFFFAOYSA-N
• XLogP: 0.79
• TPSA: 112.66 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.49
LogP ≤ 5	0.79
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[2-[2-(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)hydrazinyl]-2-oxoethyl]benzamide?

The IUPAC name of 3,4-dimethyl-N-[2-[2-(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)hydrazinyl]-2-oxoethyl]benzamide (CID 24553651) is 3,4-dimethyl-N-[2-[2-(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)hydrazinyl]-2-oxoethyl]benzamide.

What is the SMILES notation for 3,4-dimethyl-N-[2-[2-(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)hydrazinyl]-2-oxoethyl]benzamide?

The canonical SMILES for 3,4-dimethyl-N-[2-[2-(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)hydrazinyl]-2-oxoethyl]benzamide is Cc1ccc(C(=O)NCC(=O)NNC(=O)c2csc(N3CCOCC3)n2)cc1C.

What is the InChIKey of 3,4-dimethyl-N-[2-[2-(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)hydrazinyl]-2-oxoethyl]benzamide?

The InChIKey is FBMVKUVUJGXQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O4S/c1-12-3-4-14(9-13(12)2)17(26)20-10-16(25)22-23-18(27)15-11-29-19(21-15)24-5-7-28-8-6-24/h3-4,9,11H,5-8,10H2,1-2H3,(H,20,26)(H,22,25)(H,23,27).

What are the key properties of 3,4-dimethyl-N-[2-[2-(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)hydrazinyl]-2-oxoethyl]benzamide?

3,4-dimethyl-N-[2-[2-(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)hydrazinyl]-2-oxoethyl]benzamide has a molecular weight of 417.49 g/mol, XLogP of 0.79, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3,4-dimethyl-N-[2-[2-(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)hydrazinyl]-2-oxoethyl]benzamide is sourced from PubChem (CID 24553651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).