N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide

C16H12N2O4S — CID 8702482

About N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide

N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 8702482) has the molecular formula C16H12N2O4S and a molecular weight of 328.35 g/mol. Its IUPAC name is N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

• Compound Name: N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide
• PubChem CID: 8702482
• Molecular Formula: C16H12N2O4S
• Molecular Weight: 328.35 g/mol
• Exact Mass: 328.05
• IUPAC Name: N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide
• SMILES: O=C(Nc1nc(-c2cc3ccccc3o2)cs1)C1=COCCO1
• InChI: InChI=1S/C16H12N2O4S/c19-15(14-8-20-5-6-21-14)18-16-17-11(9-23-16)13-7-10-3-1-2-4-12(10)22-13/h1-4,7-9H,5-6H2,(H,17,18,19)
• InChIKey: MHHYVKDTUKGLFF-UHFFFAOYSA-N
• XLogP: 3.38
• TPSA: 73.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	328.35
LogP ≤ 5	3.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide?

The IUPAC name of N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 8702482) is N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide.

What is the SMILES notation for N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide?

The canonical SMILES for N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide is O=C(Nc1nc(-c2cc3ccccc3o2)cs1)C1=COCCO1.

What is the InChIKey of N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide?

The InChIKey is MHHYVKDTUKGLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O4S/c19-15(14-8-20-5-6-21-14)18-16-17-11(9-23-16)13-7-10-3-1-2-4-12(10)22-13/h1-4,7-9H,5-6H2,(H,17,18,19).

What are the key properties of N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide?

N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 328.35 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 8702482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).