2-[2-[[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide

C20H17F2N3O3S2 — CID 55382357

About 2-[2-[[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide

2-[2-[[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide (PubChem CID 55382357) has the molecular formula C20H17F2N3O3S2 and a molecular weight of 449.50 g/mol. Its IUPAC name is 2-[2-[[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide.

Molecular Properties

• Compound Name: 2-[2-[[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide
• PubChem CID: 55382357
• Molecular Formula: C20H17F2N3O3S2
• Molecular Weight: 449.50 g/mol
• Exact Mass: 449.07
• IUPAC Name: 2-[2-[[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide
• SMILES: COc1ccc(-c2csc(NC(=O)CSCC(=O)Nc3ccc(F)cc3)n2)cc1F
• InChI: InChI=1S/C20H17F2N3O3S2/c1-28-17-7-2-12(8-15(17)22)16-9-30-20(24-16)25-19(27)11-29-10-18(26)23-14-5-3-13(21)4-6-14/h2-9H,10-11H2,1H3,(H,23,26)(H,24,25,27)
• InChIKey: JVCWWKVWBHRDLE-UHFFFAOYSA-N
• XLogP: 4.41
• TPSA: 80.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.50
LogP ≤ 5	4.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide?

The IUPAC name of 2-[2-[[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide (CID 55382357) is 2-[2-[[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide.

What is the SMILES notation for 2-[2-[[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide?

The canonical SMILES for 2-[2-[[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide is COc1ccc(-c2csc(NC(=O)CSCC(=O)Nc3ccc(F)cc3)n2)cc1F.

What is the InChIKey of 2-[2-[[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide?

The InChIKey is JVCWWKVWBHRDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O3S2/c1-28-17-7-2-12(8-15(17)22)16-9-30-20(24-16)25-19(27)11-29-10-18(26)23-14-5-3-13(21)4-6-14/h2-9H,10-11H2,1H3,(H,23,26)(H,24,25,27).

What are the key properties of 2-[2-[[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide?

2-[2-[[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide has a molecular weight of 449.50 g/mol, XLogP of 4.41, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 55382357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).