2,5-dichloro-N-[5-[2-[(3-methoxybenzoyl)amino]ethyl]-1,3,4-thiadiazol-2-yl]benzamide

C19H16Cl2N4O3S — CID 17193292

About 2,5-dichloro-N-[5-[2-[(3-methoxybenzoyl)amino]ethyl]-1,3,4-thiadiazol-2-yl]benzamide

2,5-dichloro-N-[5-[2-[(3-methoxybenzoyl)amino]ethyl]-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 17193292) has the molecular formula C19H16Cl2N4O3S and a molecular weight of 451.34 g/mol. Its IUPAC name is 2,5-dichloro-N-[5-[2-[(3-methoxybenzoyl)amino]ethyl]-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

• Compound Name: 2,5-dichloro-N-[5-[2-[(3-methoxybenzoyl)amino]ethyl]-1,3,4-thiadiazol-2-yl]benzamide
• PubChem CID: 17193292
• Molecular Formula: C19H16Cl2N4O3S
• Molecular Weight: 451.34 g/mol
• Exact Mass: 450.03
• IUPAC Name: 2,5-dichloro-N-[5-[2-[(3-methoxybenzoyl)amino]ethyl]-1,3,4-thiadiazol-2-yl]benzamide
• SMILES: COc1cccc(C(=O)NCCc2nnc(NC(=O)c3cc(Cl)ccc3Cl)s2)c1
• InChI: InChI=1S/C19H16Cl2N4O3S/c1-28-13-4-2-3-11(9-13)17(26)22-8-7-16-24-25-19(29-16)23-18(27)14-10-12(20)5-6-15(14)21/h2-6,9-10H,7-8H2,1H3,(H,22,26)(H,23,25,27)
• InChIKey: SJLJXQYJHQFIDD-UHFFFAOYSA-N
• XLogP: 4.08
• TPSA: 93.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	451.34
LogP ≤ 5	4.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[5-[2-[(3-methoxybenzoyl)amino]ethyl]-1,3,4-thiadiazol-2-yl]benzamide?

The IUPAC name of 2,5-dichloro-N-[5-[2-[(3-methoxybenzoyl)amino]ethyl]-1,3,4-thiadiazol-2-yl]benzamide (CID 17193292) is 2,5-dichloro-N-[5-[2-[(3-methoxybenzoyl)amino]ethyl]-1,3,4-thiadiazol-2-yl]benzamide.

What is the SMILES notation for 2,5-dichloro-N-[5-[2-[(3-methoxybenzoyl)amino]ethyl]-1,3,4-thiadiazol-2-yl]benzamide?

The canonical SMILES for 2,5-dichloro-N-[5-[2-[(3-methoxybenzoyl)amino]ethyl]-1,3,4-thiadiazol-2-yl]benzamide is COc1cccc(C(=O)NCCc2nnc(NC(=O)c3cc(Cl)ccc3Cl)s2)c1.

What is the InChIKey of 2,5-dichloro-N-[5-[2-[(3-methoxybenzoyl)amino]ethyl]-1,3,4-thiadiazol-2-yl]benzamide?

The InChIKey is SJLJXQYJHQFIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N4O3S/c1-28-13-4-2-3-11(9-13)17(26)22-8-7-16-24-25-19(29-16)23-18(27)14-10-12(20)5-6-15(14)21/h2-6,9-10H,7-8H2,1H3,(H,22,26)(H,23,25,27).

What are the key properties of 2,5-dichloro-N-[5-[2-[(3-methoxybenzoyl)amino]ethyl]-1,3,4-thiadiazol-2-yl]benzamide?

2,5-dichloro-N-[5-[2-[(3-methoxybenzoyl)amino]ethyl]-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 451.34 g/mol, XLogP of 4.08, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-dichloro-N-[5-[2-[(3-methoxybenzoyl)amino]ethyl]-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 17193292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).