N-[3-(cyclohexylcarbamoyl)phenyl]-5-[(4-fluorophenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide

C23H23FN4O3S — CID 46332457

About N-[3-(cyclohexylcarbamoyl)phenyl]-5-[(4-fluorophenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide

N-[3-(cyclohexylcarbamoyl)phenyl]-5-[(4-fluorophenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 46332457) has the molecular formula C23H23FN4O3S and a molecular weight of 454.53 g/mol. Its IUPAC name is N-[3-(cyclohexylcarbamoyl)phenyl]-5-[(4-fluorophenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-(cyclohexylcarbamoyl)phenyl]-5-[(4-fluorophenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide
• PubChem CID: 46332457
• Molecular Formula: C23H23FN4O3S
• Molecular Weight: 454.53 g/mol
• Exact Mass: 454.15
• IUPAC Name: N-[3-(cyclohexylcarbamoyl)phenyl]-5-[(4-fluorophenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide
• SMILES: O=C(NC1CCCCC1)c1cccc(NC(=O)c2nnc(COc3ccc(F)cc3)s2)c1
• InChI: InChI=1S/C23H23FN4O3S/c24-16-9-11-19(12-10-16)31-14-20-27-28-23(32-20)22(30)26-18-8-4-5-15(13-18)21(29)25-17-6-2-1-3-7-17/h4-5,8-13,17H,1-3,6-7,14H2,(H,25,29)(H,26,30)
• InChIKey: YLAWWBOJGWCHOZ-UHFFFAOYSA-N
• XLogP: 4.57
• TPSA: 93.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	454.53
LogP ≤ 5	4.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclohexylcarbamoyl)phenyl]-5-[(4-fluorophenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide?

The IUPAC name of N-[3-(cyclohexylcarbamoyl)phenyl]-5-[(4-fluorophenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide (CID 46332457) is N-[3-(cyclohexylcarbamoyl)phenyl]-5-[(4-fluorophenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide.

What is the SMILES notation for N-[3-(cyclohexylcarbamoyl)phenyl]-5-[(4-fluorophenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide?

The canonical SMILES for N-[3-(cyclohexylcarbamoyl)phenyl]-5-[(4-fluorophenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide is O=C(NC1CCCCC1)c1cccc(NC(=O)c2nnc(COc3ccc(F)cc3)s2)c1.

What is the InChIKey of N-[3-(cyclohexylcarbamoyl)phenyl]-5-[(4-fluorophenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide?

The InChIKey is YLAWWBOJGWCHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O3S/c24-16-9-11-19(12-10-16)31-14-20-27-28-23(32-20)22(30)26-18-8-4-5-15(13-18)21(29)25-17-6-2-1-3-7-17/h4-5,8-13,17H,1-3,6-7,14H2,(H,25,29)(H,26,30).

What are the key properties of N-[3-(cyclohexylcarbamoyl)phenyl]-5-[(4-fluorophenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide?

N-[3-(cyclohexylcarbamoyl)phenyl]-5-[(4-fluorophenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 454.53 g/mol, XLogP of 4.57, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(cyclohexylcarbamoyl)phenyl]-5-[(4-fluorophenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 46332457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).