N-[(2-fluorophenyl)methyl]-N-[1-(furan-2-yl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]thiadiazole-4-carboxamide

C21H23FN4O3S — CID 3222218

About N-[(2-fluorophenyl)methyl]-N-[1-(furan-2-yl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]thiadiazole-4-carboxamide

N-[(2-fluorophenyl)methyl]-N-[1-(furan-2-yl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]thiadiazole-4-carboxamide (PubChem CID 3222218) has the molecular formula C21H23FN4O3S and a molecular weight of 430.51 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-N-[1-(furan-2-yl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]thiadiazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[(2-fluorophenyl)methyl]-N-[1-(furan-2-yl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]thiadiazole-4-carboxamide
• PubChem CID: 3222218
• Molecular Formula: C21H23FN4O3S
• Molecular Weight: 430.51 g/mol
• Exact Mass: 430.15
• IUPAC Name: N-[(2-fluorophenyl)methyl]-N-[1-(furan-2-yl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]thiadiazole-4-carboxamide
• SMILES: CCC(C)(C)NC(=O)C(c1ccco1)N(Cc1ccccc1F)C(=O)c1csnn1
• InChI: InChI=1S/C21H23FN4O3S/c1-4-21(2,3)23-19(27)18(17-10-7-11-29-17)26(20(28)16-13-30-25-24-16)12-14-8-5-6-9-15(14)22/h5-11,13,18H,4,12H2,1-3H3,(H,23,27)
• InChIKey: WKUUSRYQPQLCHX-UHFFFAOYSA-N
• XLogP: 3.96
• TPSA: 88.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.51
LogP ≤ 5	3.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-N-[1-(furan-2-yl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]thiadiazole-4-carboxamide?

The IUPAC name of N-[(2-fluorophenyl)methyl]-N-[1-(furan-2-yl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]thiadiazole-4-carboxamide (CID 3222218) is N-[(2-fluorophenyl)methyl]-N-[1-(furan-2-yl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]thiadiazole-4-carboxamide.

What is the SMILES notation for N-[(2-fluorophenyl)methyl]-N-[1-(furan-2-yl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]thiadiazole-4-carboxamide?

The canonical SMILES for N-[(2-fluorophenyl)methyl]-N-[1-(furan-2-yl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]thiadiazole-4-carboxamide is CCC(C)(C)NC(=O)C(c1ccco1)N(Cc1ccccc1F)C(=O)c1csnn1.

What is the InChIKey of N-[(2-fluorophenyl)methyl]-N-[1-(furan-2-yl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]thiadiazole-4-carboxamide?

The InChIKey is WKUUSRYQPQLCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O3S/c1-4-21(2,3)23-19(27)18(17-10-7-11-29-17)26(20(28)16-13-30-25-24-16)12-14-8-5-6-9-15(14)22/h5-11,13,18H,4,12H2,1-3H3,(H,23,27).

What are the key properties of N-[(2-fluorophenyl)methyl]-N-[1-(furan-2-yl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]thiadiazole-4-carboxamide?

N-[(2-fluorophenyl)methyl]-N-[1-(furan-2-yl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]thiadiazole-4-carboxamide has a molecular weight of 430.51 g/mol, XLogP of 3.96, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-fluorophenyl)methyl]-N-[1-(furan-2-yl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]thiadiazole-4-carboxamide is sourced from PubChem (CID 3222218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).