N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide

C24H25Cl2N3O2S — CID 3608472

About N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide

N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide (PubChem CID 3608472) has the molecular formula C24H25Cl2N3O2S and a molecular weight of 490.46 g/mol. Its IUPAC name is N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide.

Molecular Properties

• Compound Name: N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide
• PubChem CID: 3608472
• Molecular Formula: C24H25Cl2N3O2S
• Molecular Weight: 490.46 g/mol
• Exact Mass: 489.10
• IUPAC Name: N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide
• SMILES: CC1CN(Cc2ccc(C(=O)Nc3ncc(Cc4cccc(Cl)c4Cl)s3)cc2)CC(C)O1
• InChI: InChI=1S/C24H25Cl2N3O2S/c1-15-12-29(13-16(2)31-15)14-17-6-8-18(9-7-17)23(30)28-24-27-11-20(32-24)10-19-4-3-5-21(25)22(19)26/h3-9,11,15-16H,10,12-14H2,1-2H3,(H,27,28,30)
• InChIKey: DOYMOICQMJYRQP-UHFFFAOYSA-N
• XLogP: 5.90
• TPSA: 54.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	490.46
LogP ≤ 5	5.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide?

The IUPAC name of N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide (CID 3608472) is N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide.

What is the SMILES notation for N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide?

The canonical SMILES for N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide is CC1CN(Cc2ccc(C(=O)Nc3ncc(Cc4cccc(Cl)c4Cl)s3)cc2)CC(C)O1.

What is the InChIKey of N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide?

The InChIKey is DOYMOICQMJYRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25Cl2N3O2S/c1-15-12-29(13-16(2)31-15)14-17-6-8-18(9-7-17)23(30)28-24-27-11-20(32-24)10-19-4-3-5-21(25)22(19)26/h3-9,11,15-16H,10,12-14H2,1-2H3,(H,27,28,30).

What are the key properties of N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide?

N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide has a molecular weight of 490.46 g/mol, XLogP of 5.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide is sourced from PubChem (CID 3608472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).