2-methylpropyl N-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methyl]carbamate

C25H25FN4O4S — CID 134174723

About 2-methylpropyl N-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methyl]carbamate

2-methylpropyl N-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methyl]carbamate (PubChem CID 134174723) has the molecular formula C25H25FN4O4S and a molecular weight of 496.56 g/mol. Its IUPAC name is 2-methylpropyl N-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methyl]carbamate.

Molecular Properties

• Compound Name: 2-methylpropyl N-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methyl]carbamate
• PubChem CID: 134174723
• Molecular Formula: C25H25FN4O4S
• Molecular Weight: 496.56 g/mol
• Exact Mass: 496.16
• IUPAC Name: 2-methylpropyl N-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methyl]carbamate
• SMILES: COc1cnc2c(-c3nc4cc(F)c5c(c4s3)CC(CNC(=O)OCC(C)C)O5)cc(C)cc2n1
• InChI: InChI=1S/C25H25FN4O4S/c1-12(2)11-33-25(31)28-9-14-7-16-22(34-14)17(26)8-19-23(16)35-24(30-19)15-5-13(3)6-18-21(15)27-10-20(29-18)32-4/h5-6,8,10,12,14H,7,9,11H2,1-4H3,(H,28,31)
• InChIKey: YDKVSYJEBLTSBQ-UHFFFAOYSA-N
• XLogP: 5.05
• TPSA: 95.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	496.56
LogP ≤ 5	5.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methyl]carbamate?

The IUPAC name of 2-methylpropyl N-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methyl]carbamate (CID 134174723) is 2-methylpropyl N-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methyl]carbamate.

What is the SMILES notation for 2-methylpropyl N-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methyl]carbamate?

The canonical SMILES for 2-methylpropyl N-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methyl]carbamate is COc1cnc2c(-c3nc4cc(F)c5c(c4s3)CC(CNC(=O)OCC(C)C)O5)cc(C)cc2n1.

What is the InChIKey of 2-methylpropyl N-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methyl]carbamate?

The InChIKey is YDKVSYJEBLTSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O4S/c1-12(2)11-33-25(31)28-9-14-7-16-22(34-14)17(26)8-19-23(16)35-24(30-19)15-5-13(3)6-18-21(15)27-10-20(29-18)32-4/h5-6,8,10,12,14H,7,9,11H2,1-4H3,(H,28,31).

What are the key properties of 2-methylpropyl N-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methyl]carbamate?

2-methylpropyl N-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methyl]carbamate has a molecular weight of 496.56 g/mol, XLogP of 5.05, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methylpropyl N-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methyl]carbamate is sourced from PubChem (CID 134174723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).