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

C27H23FN6O5S — CID 139579973

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

[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methyl N-[2-(2-hydroxyethyl)pyrimidin-5-yl]carbamate (PubChem CID 139579973) has the molecular formula C27H23FN6O5S and a molecular weight of 562.58 g/mol. Its IUPAC name is [5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methyl N-[2-(2-hydroxyethyl)pyrimidin-5-yl]carbamate.

Molecular Properties

• Compound Name: [5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methyl N-[2-(2-hydroxyethyl)pyrimidin-5-yl]carbamate
• PubChem CID: 139579973
• Molecular Formula: C27H23FN6O5S
• Molecular Weight: 562.58 g/mol
• Exact Mass: 562.14
• IUPAC Name: [5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methyl N-[2-(2-hydroxyethyl)pyrimidin-5-yl]carbamate
• SMILES: COc1cnc2c(-c3nc4cc(F)c5c(c4s3)CC(COC(=O)Nc3cnc(CCO)nc3)O5)cc(C)cc2n1
• InChI: InChI=1S/C27H23FN6O5S/c1-13-5-16(23-19(6-13)33-22(37-2)11-31-23)26-34-20-8-18(28)24-17(25(20)40-26)7-15(39-24)12-38-27(36)32-14-9-29-21(3-4-35)30-10-14/h5-6,8-11,15,35H,3-4,7,12H2,1-2H3,(H,32,36)
• InChIKey: BOPWXRBZHMPZKJ-UHFFFAOYSA-N
• XLogP: 4.24
• TPSA: 141.47 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	562.58
LogP ≤ 5	4.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

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

The IUPAC name of [5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methyl N-[2-(2-hydroxyethyl)pyrimidin-5-yl]carbamate (CID 139579973) is [5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methyl N-[2-(2-hydroxyethyl)pyrimidin-5-yl]carbamate.

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

The canonical SMILES for [5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methyl N-[2-(2-hydroxyethyl)pyrimidin-5-yl]carbamate is COc1cnc2c(-c3nc4cc(F)c5c(c4s3)CC(COC(=O)Nc3cnc(CCO)nc3)O5)cc(C)cc2n1.

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

The InChIKey is BOPWXRBZHMPZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23FN6O5S/c1-13-5-16(23-19(6-13)33-22(37-2)11-31-23)26-34-20-8-18(28)24-17(25(20)40-26)7-15(39-24)12-38-27(36)32-14-9-29-21(3-4-35)30-10-14/h5-6,8-11,15,35H,3-4,7,12H2,1-2H3,(H,32,36).

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

[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methyl N-[2-(2-hydroxyethyl)pyrimidin-5-yl]carbamate has a molecular weight of 562.58 g/mol, XLogP of 4.24, 7 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for [5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methyl N-[2-(2-hydroxyethyl)pyrimidin-5-yl]carbamate is sourced from PubChem (CID 139579973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).