N-[3-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide

C23H17N5O3S — CID 55810481

About N-[3-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide

N-[3-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 55810481) has the molecular formula C23H17N5O3S and a molecular weight of 443.49 g/mol. Its IUPAC name is N-[3-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
• PubChem CID: 55810481
• Molecular Formula: C23H17N5O3S
• Molecular Weight: 443.49 g/mol
• Exact Mass: 443.11
• IUPAC Name: N-[3-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
• SMILES: O=C(Nc1nnc(-c2ccccn2)s1)c1cccc(NC(=O)C2Cc3ccccc3O2)c1
• InChI: InChI=1S/C23H17N5O3S/c29-20(26-23-28-27-22(32-23)17-9-3-4-11-24-17)15-7-5-8-16(12-15)25-21(30)19-13-14-6-1-2-10-18(14)31-19/h1-12,19H,13H2,(H,25,30)(H,26,28,29)
• InChIKey: JNOKJMSVMGQGMC-UHFFFAOYSA-N
• XLogP: 3.79
• TPSA: 106.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.49
LogP ≤ 5	3.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[3-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?

The IUPAC name of N-[3-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 55810481) is N-[3-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

What is the SMILES notation for N-[3-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?

The canonical SMILES for N-[3-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide is O=C(Nc1nnc(-c2ccccn2)s1)c1cccc(NC(=O)C2Cc3ccccc3O2)c1.

What is the InChIKey of N-[3-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?

The InChIKey is JNOKJMSVMGQGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N5O3S/c29-20(26-23-28-27-22(32-23)17-9-3-4-11-24-17)15-7-5-8-16(12-15)25-21(30)19-13-14-6-1-2-10-18(14)31-19/h1-12,19H,13H2,(H,25,30)(H,26,28,29).

What are the key properties of N-[3-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?

N-[3-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 443.49 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 55810481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).