(3R)-8-cyclopropyl-7-[(3-methylphenyl)methyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid

C19H19NO3S — CID 131989075

About (3R)-8-cyclopropyl-7-[(3-methylphenyl)methyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid

(3R)-8-cyclopropyl-7-[(3-methylphenyl)methyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid (PubChem CID 131989075) has the molecular formula C19H19NO3S and a molecular weight of 341.43 g/mol. Its IUPAC name is (3R)-8-cyclopropyl-7-[(3-methylphenyl)methyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: (3R)-8-cyclopropyl-7-[(3-methylphenyl)methyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid
• PubChem CID: 131989075
• Molecular Formula: C19H19NO3S
• Molecular Weight: 341.43 g/mol
• Exact Mass: 341.11
• IUPAC Name: (3R)-8-cyclopropyl-7-[(3-methylphenyl)methyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid
• SMILES: Cc1cccc(Cc2cc(=O)n3c(c2C2CC2)SC[C@H]3C(=O)O)c1
• InChI: InChI=1S/C19H19NO3S/c1-11-3-2-4-12(7-11)8-14-9-16(21)20-15(19(22)23)10-24-18(20)17(14)13-5-6-13/h2-4,7,9,13,15H,5-6,8,10H2,1H3,(H,22,23)/t15-/m0/s1
• InChIKey: QFIZSZLKELVUTF-HNNXBMFYSA-N
• XLogP: 3.36
• TPSA: 59.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	341.43
LogP ≤ 5	3.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (3R)-8-cyclopropyl-7-[(3-methylphenyl)methyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid?

The IUPAC name of (3R)-8-cyclopropyl-7-[(3-methylphenyl)methyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid (CID 131989075) is (3R)-8-cyclopropyl-7-[(3-methylphenyl)methyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid.

What is the SMILES notation for (3R)-8-cyclopropyl-7-[(3-methylphenyl)methyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid?

The canonical SMILES for (3R)-8-cyclopropyl-7-[(3-methylphenyl)methyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid is Cc1cccc(Cc2cc(=O)n3c(c2C2CC2)SC[C@H]3C(=O)O)c1.

What is the InChIKey of (3R)-8-cyclopropyl-7-[(3-methylphenyl)methyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid?

The InChIKey is QFIZSZLKELVUTF-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H19NO3S/c1-11-3-2-4-12(7-11)8-14-9-16(21)20-15(19(22)23)10-24-18(20)17(14)13-5-6-13/h2-4,7,9,13,15H,5-6,8,10H2,1H3,(H,22,23)/t15-/m0/s1.

What are the key properties of (3R)-8-cyclopropyl-7-[(3-methylphenyl)methyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid?

(3R)-8-cyclopropyl-7-[(3-methylphenyl)methyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid has a molecular weight of 341.43 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-8-cyclopropyl-7-[(3-methylphenyl)methyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 131989075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).