N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide

C18H18N2O2S2 — CID 18202322

About N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide

N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide (PubChem CID 18202322) has the molecular formula C18H18N2O2S2 and a molecular weight of 358.49 g/mol. Its IUPAC name is N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
• PubChem CID: 18202322
• Molecular Formula: C18H18N2O2S2
• Molecular Weight: 358.49 g/mol
• Exact Mass: 358.08
• IUPAC Name: N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
• SMILES: Cc1ccc(CN(C)C(=O)CSc2nc(-c3ccccc3)cs2)o1
• InChI: InChI=1S/C18H18N2O2S2/c1-13-8-9-15(22-13)10-20(2)17(21)12-24-18-19-16(11-23-18)14-6-4-3-5-7-14/h3-9,11H,10,12H2,1-2H3
• InChIKey: IFVGBGKUWXNIKM-UHFFFAOYSA-N
• XLogP: 4.46
• TPSA: 46.34 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	358.49
LogP ≤ 5	4.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide?

The IUPAC name of N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide (CID 18202322) is N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide.

What is the SMILES notation for N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide?

The canonical SMILES for N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide is Cc1ccc(CN(C)C(=O)CSc2nc(-c3ccccc3)cs2)o1.

What is the InChIKey of N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide?

The InChIKey is IFVGBGKUWXNIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S2/c1-13-8-9-15(22-13)10-20(2)17(21)12-24-18-19-16(11-23-18)14-6-4-3-5-7-14/h3-9,11H,10,12H2,1-2H3.

What are the key properties of N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide?

N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide has a molecular weight of 358.49 g/mol, XLogP of 4.46, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 18202322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).