tert-butyl N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]carbamate

C24H25FN2O5S — CID 58541228

About tert-butyl N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]carbamate

tert-butyl N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]carbamate (PubChem CID 58541228) has the molecular formula C24H25FN2O5S and a molecular weight of 472.54 g/mol. Its IUPAC name is tert-butyl N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]carbamate
• PubChem CID: 58541228
• Molecular Formula: C24H25FN2O5S
• Molecular Weight: 472.54 g/mol
• Exact Mass: 472.15
• IUPAC Name: tert-butyl N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]carbamate
• SMILES: COc1cccc(F)c1Oc1ccc(NC(=O)OC(C)(C)C)cc1CC(=O)Cc1nccs1
• InChI: InChI=1S/C24H25FN2O5S/c1-24(2,3)32-23(29)27-16-8-9-19(31-22-18(25)6-5-7-20(22)30-4)15(12-16)13-17(28)14-21-26-10-11-33-21/h5-12H,13-14H2,1-4H3,(H,27,29)
• InChIKey: YTWOLFNLCLRFOJ-UHFFFAOYSA-N
• XLogP: 5.78
• TPSA: 86.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	472.54
LogP ≤ 5	5.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]carbamate?

The IUPAC name of tert-butyl N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]carbamate (CID 58541228) is tert-butyl N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]carbamate.

What is the SMILES notation for tert-butyl N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]carbamate?

The canonical SMILES for tert-butyl N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]carbamate is COc1cccc(F)c1Oc1ccc(NC(=O)OC(C)(C)C)cc1CC(=O)Cc1nccs1.

What is the InChIKey of tert-butyl N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]carbamate?

The InChIKey is YTWOLFNLCLRFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O5S/c1-24(2,3)32-23(29)27-16-8-9-19(31-22-18(25)6-5-7-20(22)30-4)15(12-16)13-17(28)14-21-26-10-11-33-21/h5-12H,13-14H2,1-4H3,(H,27,29).

What are the key properties of tert-butyl N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]carbamate?

tert-butyl N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]carbamate has a molecular weight of 472.54 g/mol, XLogP of 5.78, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]carbamate is sourced from PubChem (CID 58541228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).