(3R)-6-amino-7-[(2,3-dimethylphenyl)methyl]-8-methoxy-N-(4-methylphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide

C25H27N3O3S — CID 121334198

About (3R)-6-amino-7-[(2,3-dimethylphenyl)methyl]-8-methoxy-N-(4-methylphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide

(3R)-6-amino-7-[(2,3-dimethylphenyl)methyl]-8-methoxy-N-(4-methylphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide (PubChem CID 121334198) has the molecular formula C25H27N3O3S and a molecular weight of 449.58 g/mol. Its IUPAC name is (3R)-6-amino-7-[(2,3-dimethylphenyl)methyl]-8-methoxy-N-(4-methylphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-6-amino-7-[(2,3-dimethylphenyl)methyl]-8-methoxy-N-(4-methylphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide
• PubChem CID: 121334198
• Molecular Formula: C25H27N3O3S
• Molecular Weight: 449.58 g/mol
• Exact Mass: 449.18
• IUPAC Name: (3R)-6-amino-7-[(2,3-dimethylphenyl)methyl]-8-methoxy-N-(4-methylphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide
• SMILES: COc1c(Cc2cccc(C)c2C)c(N)c(=O)n2c1SC[C@H]2C(=O)Nc1ccc(C)cc1
• InChI: InChI=1S/C25H27N3O3S/c1-14-8-10-18(11-9-14)27-23(29)20-13-32-25-22(31-4)19(21(26)24(30)28(20)25)12-17-7-5-6-15(2)16(17)3/h5-11,20H,12-13,26H2,1-4H3,(H,27,29)/t20-/m0/s1
• InChIKey: KVXYFRSXGNHMSL-FQEVSTJZSA-N
• XLogP: 4.24
• TPSA: 86.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.58
LogP ≤ 5	4.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (3R)-6-amino-7-[(2,3-dimethylphenyl)methyl]-8-methoxy-N-(4-methylphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide?

The IUPAC name of (3R)-6-amino-7-[(2,3-dimethylphenyl)methyl]-8-methoxy-N-(4-methylphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide (CID 121334198) is (3R)-6-amino-7-[(2,3-dimethylphenyl)methyl]-8-methoxy-N-(4-methylphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide.

What is the SMILES notation for (3R)-6-amino-7-[(2,3-dimethylphenyl)methyl]-8-methoxy-N-(4-methylphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide?

The canonical SMILES for (3R)-6-amino-7-[(2,3-dimethylphenyl)methyl]-8-methoxy-N-(4-methylphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide is COc1c(Cc2cccc(C)c2C)c(N)c(=O)n2c1SC[C@H]2C(=O)Nc1ccc(C)cc1.

What is the InChIKey of (3R)-6-amino-7-[(2,3-dimethylphenyl)methyl]-8-methoxy-N-(4-methylphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide?

The InChIKey is KVXYFRSXGNHMSL-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H27N3O3S/c1-14-8-10-18(11-9-14)27-23(29)20-13-32-25-22(31-4)19(21(26)24(30)28(20)25)12-17-7-5-6-15(2)16(17)3/h5-11,20H,12-13,26H2,1-4H3,(H,27,29)/t20-/m0/s1.

What are the key properties of (3R)-6-amino-7-[(2,3-dimethylphenyl)methyl]-8-methoxy-N-(4-methylphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide?

(3R)-6-amino-7-[(2,3-dimethylphenyl)methyl]-8-methoxy-N-(4-methylphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide has a molecular weight of 449.58 g/mol, XLogP of 4.24, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-6-amino-7-[(2,3-dimethylphenyl)methyl]-8-methoxy-N-(4-methylphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 121334198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).