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

C13H12N2O4S — CID 4065102

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

N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 4065102) has the molecular formula C13H12N2O4S and a molecular weight of 292.32 g/mol. Its IUPAC name is N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

• Compound Name: N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide
• PubChem CID: 4065102
• Molecular Formula: C13H12N2O4S
• Molecular Weight: 292.32 g/mol
• Exact Mass: 292.05
• IUPAC Name: N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide
• SMILES: Cc1ccc(-c2csc(NC(=O)C3=COCCO3)n2)o1
• InChI: InChI=1S/C13H12N2O4S/c1-8-2-3-10(19-8)9-7-20-13(14-9)15-12(16)11-6-17-4-5-18-11/h2-3,6-7H,4-5H2,1H3,(H,14,15,16)
• InChIKey: XBEYWQJXIDRGKR-UHFFFAOYSA-N
• XLogP: 2.54
• TPSA: 73.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	292.32
LogP ≤ 5	2.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 4065102) is N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide.

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

The canonical SMILES for N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide is Cc1ccc(-c2csc(NC(=O)C3=COCCO3)n2)o1.

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

The InChIKey is XBEYWQJXIDRGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4S/c1-8-2-3-10(19-8)9-7-20-13(14-9)15-12(16)11-6-17-4-5-18-11/h2-3,6-7H,4-5H2,1H3,(H,14,15,16).

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

N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 292.32 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 4065102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).