[2-[(2R)-2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-[(2R)-1-methoxy-1-oxopropan-2-yl]-methylazanium

C16H22FN2O3S+ — CID 11899766

About [2-[(2R)-2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-[(2R)-1-methoxy-1-oxopropan-2-yl]-methylazanium

[2-[(2R)-2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-[(2R)-1-methoxy-1-oxopropan-2-yl]-methylazanium (PubChem CID 11899766) has the molecular formula C16H22FN2O3S+ and a molecular weight of 341.43 g/mol. Its IUPAC name is [2-[(2R)-2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-[(2R)-1-methoxy-1-oxopropan-2-yl]-methylazanium.

Molecular Properties

• Compound Name: [2-[(2R)-2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-[(2R)-1-methoxy-1-oxopropan-2-yl]-methylazanium
• PubChem CID: 11899766
• Molecular Formula: C16H22FN2O3S+
• Molecular Weight: 341.43 g/mol
• Exact Mass: 341.13
• IUPAC Name: [2-[(2R)-2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-[(2R)-1-methoxy-1-oxopropan-2-yl]-methylazanium
• SMILES: COC(=O)[C@@H](C)[NH+](C)CC(=O)N1CCS[C@@H]1c1ccc(F)cc1
• InChI: InChI=1S/C16H21FN2O3S/c1-11(16(21)22-3)18(2)10-14(20)19-8-9-23-15(19)12-4-6-13(17)7-5-12/h4-7,11,15H,8-10H2,1-3H3/p+1/t11-,15-/m1/s1
• InChIKey: AMZNVLDQNLKZKI-IAQYHMDHSA-O
• XLogP: 0.48
• TPSA: 51.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	341.43
LogP ≤ 5	0.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [2-[(2R)-2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-[(2R)-1-methoxy-1-oxopropan-2-yl]-methylazanium?

The IUPAC name of [2-[(2R)-2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-[(2R)-1-methoxy-1-oxopropan-2-yl]-methylazanium (CID 11899766) is [2-[(2R)-2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-[(2R)-1-methoxy-1-oxopropan-2-yl]-methylazanium.

What is the SMILES notation for [2-[(2R)-2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-[(2R)-1-methoxy-1-oxopropan-2-yl]-methylazanium?

The canonical SMILES for [2-[(2R)-2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-[(2R)-1-methoxy-1-oxopropan-2-yl]-methylazanium is COC(=O)[C@@H](C)[NH+](C)CC(=O)N1CCS[C@@H]1c1ccc(F)cc1.

What is the InChIKey of [2-[(2R)-2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-[(2R)-1-methoxy-1-oxopropan-2-yl]-methylazanium?

The InChIKey is AMZNVLDQNLKZKI-IAQYHMDHSA-O. The full InChI is InChI=1S/C16H21FN2O3S/c1-11(16(21)22-3)18(2)10-14(20)19-8-9-23-15(19)12-4-6-13(17)7-5-12/h4-7,11,15H,8-10H2,1-3H3/p+1/t11-,15-/m1/s1.

What are the key properties of [2-[(2R)-2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-[(2R)-1-methoxy-1-oxopropan-2-yl]-methylazanium?

[2-[(2R)-2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-[(2R)-1-methoxy-1-oxopropan-2-yl]-methylazanium has a molecular weight of 341.43 g/mol, XLogP of 0.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[(2R)-2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-[(2R)-1-methoxy-1-oxopropan-2-yl]-methylazanium is sourced from PubChem (CID 11899766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).