N-(furan-2-ylmethyl)-2-[2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide

C19H19N3O4S2 — CID 16898858

About N-(furan-2-ylmethyl)-2-[2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide

N-(furan-2-ylmethyl)-2-[2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide (PubChem CID 16898858) has the molecular formula C19H19N3O4S2 and a molecular weight of 417.51 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide.

Molecular Properties

• Compound Name: N-(furan-2-ylmethyl)-2-[2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide
• PubChem CID: 16898858
• Molecular Formula: C19H19N3O4S2
• Molecular Weight: 417.51 g/mol
• Exact Mass: 417.08
• IUPAC Name: N-(furan-2-ylmethyl)-2-[2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide
• SMILES: COc1cccc(NC(=O)CSc2nc(CC(=O)NCc3ccco3)cs2)c1
• InChI: InChI=1S/C19H19N3O4S2/c1-25-15-5-2-4-13(8-15)21-18(24)12-28-19-22-14(11-27-19)9-17(23)20-10-16-6-3-7-26-16/h2-8,11H,9-10,12H2,1H3,(H,20,23)(H,21,24)
• InChIKey: UYPVMGNURHVBGI-UHFFFAOYSA-N
• XLogP: 3.33
• TPSA: 93.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.51
LogP ≤ 5	3.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide?

The IUPAC name of N-(furan-2-ylmethyl)-2-[2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide (CID 16898858) is N-(furan-2-ylmethyl)-2-[2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide.

What is the SMILES notation for N-(furan-2-ylmethyl)-2-[2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide?

The canonical SMILES for N-(furan-2-ylmethyl)-2-[2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide is COc1cccc(NC(=O)CSc2nc(CC(=O)NCc3ccco3)cs2)c1.

What is the InChIKey of N-(furan-2-ylmethyl)-2-[2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide?

The InChIKey is UYPVMGNURHVBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S2/c1-25-15-5-2-4-13(8-15)21-18(24)12-28-19-22-14(11-27-19)9-17(23)20-10-16-6-3-7-26-16/h2-8,11H,9-10,12H2,1H3,(H,20,23)(H,21,24).

What are the key properties of N-(furan-2-ylmethyl)-2-[2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide?

N-(furan-2-ylmethyl)-2-[2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide has a molecular weight of 417.51 g/mol, XLogP of 3.33, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(furan-2-ylmethyl)-2-[2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 16898858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).