2-[(3-fluorophenyl)carbamoylamino]-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide

C24H19F2N5O2S — CID 5130960

About 2-[(3-fluorophenyl)carbamoylamino]-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide

2-[(3-fluorophenyl)carbamoylamino]-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide (PubChem CID 5130960) has the molecular formula C24H19F2N5O2S and a molecular weight of 479.51 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)carbamoylamino]-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide.

Molecular Properties

• Compound Name: 2-[(3-fluorophenyl)carbamoylamino]-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide
• PubChem CID: 5130960
• Molecular Formula: C24H19F2N5O2S
• Molecular Weight: 479.51 g/mol
• Exact Mass: 479.12
• IUPAC Name: 2-[(3-fluorophenyl)carbamoylamino]-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide
• SMILES: O=C(Nc1cccc(F)c1)NC(Cc1ccccc1)C(=O)Nc1nnc(-c2ccc(F)cc2)s1
• InChI: InChI=1S/C24H19F2N5O2S/c25-17-11-9-16(10-12-17)22-30-31-24(34-22)29-21(32)20(13-15-5-2-1-3-6-15)28-23(33)27-19-8-4-7-18(26)14-19/h1-12,14,20H,13H2,(H2,27,28,33)(H,29,31,32)
• InChIKey: ZBLGJFZMJLHGRR-UHFFFAOYSA-N
• XLogP: 4.85
• TPSA: 96.01 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	479.51
LogP ≤ 5	4.85
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)carbamoylamino]-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide?

The IUPAC name of 2-[(3-fluorophenyl)carbamoylamino]-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide (CID 5130960) is 2-[(3-fluorophenyl)carbamoylamino]-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide.

What is the SMILES notation for 2-[(3-fluorophenyl)carbamoylamino]-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide?

The canonical SMILES for 2-[(3-fluorophenyl)carbamoylamino]-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide is O=C(Nc1cccc(F)c1)NC(Cc1ccccc1)C(=O)Nc1nnc(-c2ccc(F)cc2)s1.

What is the InChIKey of 2-[(3-fluorophenyl)carbamoylamino]-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide?

The InChIKey is ZBLGJFZMJLHGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2N5O2S/c25-17-11-9-16(10-12-17)22-30-31-24(34-22)29-21(32)20(13-15-5-2-1-3-6-15)28-23(33)27-19-8-4-7-18(26)14-19/h1-12,14,20H,13H2,(H2,27,28,33)(H,29,31,32).

What are the key properties of 2-[(3-fluorophenyl)carbamoylamino]-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide?

2-[(3-fluorophenyl)carbamoylamino]-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide has a molecular weight of 479.51 g/mol, XLogP of 4.85, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3-fluorophenyl)carbamoylamino]-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide is sourced from PubChem (CID 5130960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).