N-[4-(3-chloro-5-fluoro-4-pentoxyphenyl)-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide

C24H24ClFN4O5S — CID 88592326

About N-[4-(3-chloro-5-fluoro-4-pentoxyphenyl)-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide

N-[4-(3-chloro-5-fluoro-4-pentoxyphenyl)-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide (PubChem CID 88592326) has the molecular formula C24H24ClFN4O5S and a molecular weight of 535.00 g/mol. Its IUPAC name is N-[4-(3-chloro-5-fluoro-4-pentoxyphenyl)-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide.

Molecular Properties

• Compound Name: N-[4-(3-chloro-5-fluoro-4-pentoxyphenyl)-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide
• PubChem CID: 88592326
• Molecular Formula: C24H24ClFN4O5S
• Molecular Weight: 535.00 g/mol
• Exact Mass: 534.11
• IUPAC Name: N-[4-(3-chloro-5-fluoro-4-pentoxyphenyl)-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide
• SMILES: CCCCCOc1c(F)cc(-c2csc(NC(=O)Cc3coc4c3c(=O)n(C)c(=O)n4C)n2)cc1Cl
• InChI: InChI=1S/C24H24ClFN4O5S/c1-4-5-6-7-34-20-15(25)8-13(9-16(20)26)17-12-36-23(27-17)28-18(31)10-14-11-35-22-19(14)21(32)29(2)24(33)30(22)3/h8-9,11-12H,4-7,10H2,1-3H3,(H,27,28,31)
• InChIKey: YPYJFEHCTZDPJS-UHFFFAOYSA-N
• XLogP: 4.50
• TPSA: 108.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	535.00
LogP ≤ 5	4.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-chloro-5-fluoro-4-pentoxyphenyl)-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide?

The IUPAC name of N-[4-(3-chloro-5-fluoro-4-pentoxyphenyl)-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide (CID 88592326) is N-[4-(3-chloro-5-fluoro-4-pentoxyphenyl)-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide.

What is the SMILES notation for N-[4-(3-chloro-5-fluoro-4-pentoxyphenyl)-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide?

The canonical SMILES for N-[4-(3-chloro-5-fluoro-4-pentoxyphenyl)-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide is CCCCCOc1c(F)cc(-c2csc(NC(=O)Cc3coc4c3c(=O)n(C)c(=O)n4C)n2)cc1Cl.

What is the InChIKey of N-[4-(3-chloro-5-fluoro-4-pentoxyphenyl)-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide?

The InChIKey is YPYJFEHCTZDPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClFN4O5S/c1-4-5-6-7-34-20-15(25)8-13(9-16(20)26)17-12-36-23(27-17)28-18(31)10-14-11-35-22-19(14)21(32)29(2)24(33)30(22)3/h8-9,11-12H,4-7,10H2,1-3H3,(H,27,28,31).

What are the key properties of N-[4-(3-chloro-5-fluoro-4-pentoxyphenyl)-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide?

N-[4-(3-chloro-5-fluoro-4-pentoxyphenyl)-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide has a molecular weight of 535.00 g/mol, XLogP of 4.50, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(3-chloro-5-fluoro-4-pentoxyphenyl)-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxofuro[2,3-d]pyrimidin-5-yl)acetamide is sourced from PubChem (CID 88592326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).