N-[2-[5-[(3-fluorobenzoyl)amino]-1,3,4-thiadiazol-2-yl]ethyl]-3-methoxybenzamide

C19H17FN4O3S — CID 17193496

About N-[2-[5-[(3-fluorobenzoyl)amino]-1,3,4-thiadiazol-2-yl]ethyl]-3-methoxybenzamide

N-[2-[5-[(3-fluorobenzoyl)amino]-1,3,4-thiadiazol-2-yl]ethyl]-3-methoxybenzamide (PubChem CID 17193496) has the molecular formula C19H17FN4O3S and a molecular weight of 400.44 g/mol. Its IUPAC name is N-[2-[5-[(3-fluorobenzoyl)amino]-1,3,4-thiadiazol-2-yl]ethyl]-3-methoxybenzamide.

Molecular Properties

• Compound Name: N-[2-[5-[(3-fluorobenzoyl)amino]-1,3,4-thiadiazol-2-yl]ethyl]-3-methoxybenzamide
• PubChem CID: 17193496
• Molecular Formula: C19H17FN4O3S
• Molecular Weight: 400.44 g/mol
• Exact Mass: 400.10
• IUPAC Name: N-[2-[5-[(3-fluorobenzoyl)amino]-1,3,4-thiadiazol-2-yl]ethyl]-3-methoxybenzamide
• SMILES: COc1cccc(C(=O)NCCc2nnc(NC(=O)c3cccc(F)c3)s2)c1
• InChI: InChI=1S/C19H17FN4O3S/c1-27-15-7-3-5-13(11-15)17(25)21-9-8-16-23-24-19(28-16)22-18(26)12-4-2-6-14(20)10-12/h2-7,10-11H,8-9H2,1H3,(H,21,25)(H,22,24,26)
• InChIKey: PSILRAURBQSWPD-UHFFFAOYSA-N
• XLogP: 2.91
• TPSA: 93.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	400.44
LogP ≤ 5	2.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[2-[5-[(3-fluorobenzoyl)amino]-1,3,4-thiadiazol-2-yl]ethyl]-3-methoxybenzamide (CID 17193496) is N-[2-[5-[(3-fluorobenzoyl)amino]-1,3,4-thiadiazol-2-yl]ethyl]-3-methoxybenzamide.

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

The canonical SMILES for N-[2-[5-[(3-fluorobenzoyl)amino]-1,3,4-thiadiazol-2-yl]ethyl]-3-methoxybenzamide is COc1cccc(C(=O)NCCc2nnc(NC(=O)c3cccc(F)c3)s2)c1.

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

The InChIKey is PSILRAURBQSWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O3S/c1-27-15-7-3-5-13(11-15)17(25)21-9-8-16-23-24-19(28-16)22-18(26)12-4-2-6-14(20)10-12/h2-7,10-11H,8-9H2,1H3,(H,21,25)(H,22,24,26).

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

N-[2-[5-[(3-fluorobenzoyl)amino]-1,3,4-thiadiazol-2-yl]ethyl]-3-methoxybenzamide has a molecular weight of 400.44 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[5-[(3-fluorobenzoyl)amino]-1,3,4-thiadiazol-2-yl]ethyl]-3-methoxybenzamide is sourced from PubChem (CID 17193496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).