2,4-dichloro-N-[2-[2-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)hydrazinyl]-2-oxoethyl]benzamide

C18H19Cl2N5O4S — CID 25447062

About 2,4-dichloro-N-[2-[2-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)hydrazinyl]-2-oxoethyl]benzamide

2,4-dichloro-N-[2-[2-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)hydrazinyl]-2-oxoethyl]benzamide (PubChem CID 25447062) has the molecular formula C18H19Cl2N5O4S and a molecular weight of 472.35 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-[2-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)hydrazinyl]-2-oxoethyl]benzamide.

Molecular Properties

• Compound Name: 2,4-dichloro-N-[2-[2-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)hydrazinyl]-2-oxoethyl]benzamide
• PubChem CID: 25447062
• Molecular Formula: C18H19Cl2N5O4S
• Molecular Weight: 472.35 g/mol
• Exact Mass: 471.05
• IUPAC Name: 2,4-dichloro-N-[2-[2-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)hydrazinyl]-2-oxoethyl]benzamide
• SMILES: Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)CNC(=O)c1ccc(Cl)cc1Cl
• InChI: InChI=1S/C18H19Cl2N5O4S/c1-10-15(30-18(22-10)25-4-6-29-7-5-25)17(28)24-23-14(26)9-21-16(27)12-3-2-11(19)8-13(12)20/h2-3,8H,4-7,9H2,1H3,(H,21,27)(H,23,26)(H,24,28)
• InChIKey: PCHCIHKSKVAKQD-UHFFFAOYSA-N
• XLogP: 1.79
• TPSA: 112.66 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.35
LogP ≤ 5	1.79
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 2,4-dichloro-N-[2-[2-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)hydrazinyl]-2-oxoethyl]benzamide?

The IUPAC name of 2,4-dichloro-N-[2-[2-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)hydrazinyl]-2-oxoethyl]benzamide (CID 25447062) is 2,4-dichloro-N-[2-[2-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)hydrazinyl]-2-oxoethyl]benzamide.

What is the SMILES notation for 2,4-dichloro-N-[2-[2-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)hydrazinyl]-2-oxoethyl]benzamide?

The canonical SMILES for 2,4-dichloro-N-[2-[2-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)hydrazinyl]-2-oxoethyl]benzamide is Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)CNC(=O)c1ccc(Cl)cc1Cl.

What is the InChIKey of 2,4-dichloro-N-[2-[2-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)hydrazinyl]-2-oxoethyl]benzamide?

The InChIKey is PCHCIHKSKVAKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N5O4S/c1-10-15(30-18(22-10)25-4-6-29-7-5-25)17(28)24-23-14(26)9-21-16(27)12-3-2-11(19)8-13(12)20/h2-3,8H,4-7,9H2,1H3,(H,21,27)(H,23,26)(H,24,28).

What are the key properties of 2,4-dichloro-N-[2-[2-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)hydrazinyl]-2-oxoethyl]benzamide?

2,4-dichloro-N-[2-[2-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)hydrazinyl]-2-oxoethyl]benzamide has a molecular weight of 472.35 g/mol, XLogP of 1.79, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dichloro-N-[2-[2-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)hydrazinyl]-2-oxoethyl]benzamide is sourced from PubChem (CID 25447062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).