(2S)-N-[3-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-2-phenoxypropanamide

C23H21N3O4S — CID 51694699

About (2S)-N-[3-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-2-phenoxypropanamide

(2S)-N-[3-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-2-phenoxypropanamide (PubChem CID 51694699) has the molecular formula C23H21N3O4S and a molecular weight of 435.51 g/mol. Its IUPAC name is (2S)-N-[3-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-2-phenoxypropanamide.

Molecular Properties

• Compound Name: (2S)-N-[3-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-2-phenoxypropanamide
• PubChem CID: 51694699
• Molecular Formula: C23H21N3O4S
• Molecular Weight: 435.51 g/mol
• Exact Mass: 435.13
• IUPAC Name: (2S)-N-[3-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-2-phenoxypropanamide
• SMILES: Cc1csc2nc(COc3cccc(NC(=O)[C@H](C)Oc4ccccc4)c3)cc(=O)n12
• InChI: InChI=1S/C23H21N3O4S/c1-15-14-31-23-25-18(12-21(27)26(15)23)13-29-20-10-6-7-17(11-20)24-22(28)16(2)30-19-8-4-3-5-9-19/h3-12,14,16H,13H2,1-2H3,(H,24,28)/t16-/m0/s1
• InChIKey: CLYLXOSWHNXXPW-INIZCTEOSA-N
• XLogP: 4.05
• TPSA: 81.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.51
LogP ≤ 5	4.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-2-phenoxypropanamide?

The IUPAC name of (2S)-N-[3-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-2-phenoxypropanamide (CID 51694699) is (2S)-N-[3-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-2-phenoxypropanamide.

What is the SMILES notation for (2S)-N-[3-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-2-phenoxypropanamide?

The canonical SMILES for (2S)-N-[3-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-2-phenoxypropanamide is Cc1csc2nc(COc3cccc(NC(=O)[C@H](C)Oc4ccccc4)c3)cc(=O)n12.

What is the InChIKey of (2S)-N-[3-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-2-phenoxypropanamide?

The InChIKey is CLYLXOSWHNXXPW-INIZCTEOSA-N. The full InChI is InChI=1S/C23H21N3O4S/c1-15-14-31-23-25-18(12-21(27)26(15)23)13-29-20-10-6-7-17(11-20)24-22(28)16(2)30-19-8-4-3-5-9-19/h3-12,14,16H,13H2,1-2H3,(H,24,28)/t16-/m0/s1.

What are the key properties of (2S)-N-[3-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-2-phenoxypropanamide?

(2S)-N-[3-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-2-phenoxypropanamide has a molecular weight of 435.51 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-[3-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-2-phenoxypropanamide is sourced from PubChem (CID 51694699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).