N-[(4-fluorophenyl)methyl]-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-pyridin-3-ylethyl]thiadiazole-4-carboxamide

C22H24FN5O2S — CID 3222240

About N-[(4-fluorophenyl)methyl]-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-pyridin-3-ylethyl]thiadiazole-4-carboxamide

N-[(4-fluorophenyl)methyl]-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-pyridin-3-ylethyl]thiadiazole-4-carboxamide (PubChem CID 3222240) has the molecular formula C22H24FN5O2S and a molecular weight of 441.53 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-pyridin-3-ylethyl]thiadiazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[(4-fluorophenyl)methyl]-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-pyridin-3-ylethyl]thiadiazole-4-carboxamide
• PubChem CID: 3222240
• Molecular Formula: C22H24FN5O2S
• Molecular Weight: 441.53 g/mol
• Exact Mass: 441.16
• IUPAC Name: N-[(4-fluorophenyl)methyl]-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-pyridin-3-ylethyl]thiadiazole-4-carboxamide
• SMILES: CCC(C)(C)NC(=O)C(c1cccnc1)N(Cc1ccc(F)cc1)C(=O)c1csnn1
• InChI: InChI=1S/C22H24FN5O2S/c1-4-22(2,3)25-20(29)19(16-6-5-11-24-12-16)28(21(30)18-14-31-27-26-18)13-15-7-9-17(23)10-8-15/h5-12,14,19H,4,13H2,1-3H3,(H,25,29)
• InChIKey: MWJOBYFKQXLFKF-UHFFFAOYSA-N
• XLogP: 3.76
• TPSA: 88.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.53
LogP ≤ 5	3.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-pyridin-3-ylethyl]thiadiazole-4-carboxamide?

The IUPAC name of N-[(4-fluorophenyl)methyl]-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-pyridin-3-ylethyl]thiadiazole-4-carboxamide (CID 3222240) is N-[(4-fluorophenyl)methyl]-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-pyridin-3-ylethyl]thiadiazole-4-carboxamide.

What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-pyridin-3-ylethyl]thiadiazole-4-carboxamide?

The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-pyridin-3-ylethyl]thiadiazole-4-carboxamide is CCC(C)(C)NC(=O)C(c1cccnc1)N(Cc1ccc(F)cc1)C(=O)c1csnn1.

What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-pyridin-3-ylethyl]thiadiazole-4-carboxamide?

The InChIKey is MWJOBYFKQXLFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O2S/c1-4-22(2,3)25-20(29)19(16-6-5-11-24-12-16)28(21(30)18-14-31-27-26-18)13-15-7-9-17(23)10-8-15/h5-12,14,19H,4,13H2,1-3H3,(H,25,29).

What are the key properties of N-[(4-fluorophenyl)methyl]-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-pyridin-3-ylethyl]thiadiazole-4-carboxamide?

N-[(4-fluorophenyl)methyl]-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-pyridin-3-ylethyl]thiadiazole-4-carboxamide has a molecular weight of 441.53 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-fluorophenyl)methyl]-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-pyridin-3-ylethyl]thiadiazole-4-carboxamide is sourced from PubChem (CID 3222240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).