4-methyl-3-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1,3-thiazol-2-one

C19H18N2O2S2 — CID 17492440

About 4-methyl-3-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1,3-thiazol-2-one

4-methyl-3-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1,3-thiazol-2-one (PubChem CID 17492440) has the molecular formula C19H18N2O2S2 and a molecular weight of 370.50 g/mol. Its IUPAC name is 4-methyl-3-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1,3-thiazol-2-one.

Molecular Properties

• Compound Name: 4-methyl-3-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1,3-thiazol-2-one
• PubChem CID: 17492440
• Molecular Formula: C19H18N2O2S2
• Molecular Weight: 370.50 g/mol
• Exact Mass: 370.08
• IUPAC Name: 4-methyl-3-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1,3-thiazol-2-one
• SMILES: Cc1csc(=O)n1CC(=O)N1CCc2sccc2C1c1ccccc1
• InChI: InChI=1S/C19H18N2O2S2/c1-13-12-25-19(23)21(13)11-17(22)20-9-7-16-15(8-10-24-16)18(20)14-5-3-2-4-6-14/h2-6,8,10,12,18H,7,9,11H2,1H3
• InChIKey: MLVVFDCEKQYNNR-UHFFFAOYSA-N
• XLogP: 3.45
• TPSA: 42.31 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.50
LogP ≤ 5	3.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1,3-thiazol-2-one?

The IUPAC name of 4-methyl-3-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1,3-thiazol-2-one (CID 17492440) is 4-methyl-3-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1,3-thiazol-2-one.

What is the SMILES notation for 4-methyl-3-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1,3-thiazol-2-one?

The canonical SMILES for 4-methyl-3-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1,3-thiazol-2-one is Cc1csc(=O)n1CC(=O)N1CCc2sccc2C1c1ccccc1.

What is the InChIKey of 4-methyl-3-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1,3-thiazol-2-one?

The InChIKey is MLVVFDCEKQYNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2S2/c1-13-12-25-19(23)21(13)11-17(22)20-9-7-16-15(8-10-24-16)18(20)14-5-3-2-4-6-14/h2-6,8,10,12,18H,7,9,11H2,1H3.

What are the key properties of 4-methyl-3-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1,3-thiazol-2-one?

4-methyl-3-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1,3-thiazol-2-one has a molecular weight of 370.50 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-3-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1,3-thiazol-2-one is sourced from PubChem (CID 17492440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).