5-[(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methyl]-4-hydroxy-3H-1,3-thiazol-2-one

C15H15N3O2S — CID 123538560

About 5-[(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methyl]-4-hydroxy-3H-1,3-thiazol-2-one

5-[(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methyl]-4-hydroxy-3H-1,3-thiazol-2-one (PubChem CID 123538560) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is 5-[(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methyl]-4-hydroxy-3H-1,3-thiazol-2-one.

Molecular Properties

• Compound Name: 5-[(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methyl]-4-hydroxy-3H-1,3-thiazol-2-one
• PubChem CID: 123538560
• Molecular Formula: C15H15N3O2S
• Molecular Weight: 301.37 g/mol
• Exact Mass: 301.09
• IUPAC Name: 5-[(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methyl]-4-hydroxy-3H-1,3-thiazol-2-one
• SMILES: Cc1cc(Cc2sc(=O)[nH]c2O)c(C)n1-c1cccnc1
• InChI: InChI=1S/C15H15N3O2S/c1-9-6-11(7-13-14(19)17-15(20)21-13)10(2)18(9)12-4-3-5-16-8-12/h3-6,8,19H,7H2,1-2H3,(H,17,20)
• InChIKey: MPCMIYPRPQSXOC-UHFFFAOYSA-N
• XLogP: 2.54
• TPSA: 70.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	301.37
LogP ≤ 5	2.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methyl]-4-hydroxy-3H-1,3-thiazol-2-one?

The IUPAC name of 5-[(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methyl]-4-hydroxy-3H-1,3-thiazol-2-one (CID 123538560) is 5-[(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methyl]-4-hydroxy-3H-1,3-thiazol-2-one.

What is the SMILES notation for 5-[(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methyl]-4-hydroxy-3H-1,3-thiazol-2-one?

The canonical SMILES for 5-[(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methyl]-4-hydroxy-3H-1,3-thiazol-2-one is Cc1cc(Cc2sc(=O)[nH]c2O)c(C)n1-c1cccnc1.

What is the InChIKey of 5-[(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methyl]-4-hydroxy-3H-1,3-thiazol-2-one?

The InChIKey is MPCMIYPRPQSXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-9-6-11(7-13-14(19)17-15(20)21-13)10(2)18(9)12-4-3-5-16-8-12/h3-6,8,19H,7H2,1-2H3,(H,17,20).

What are the key properties of 5-[(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methyl]-4-hydroxy-3H-1,3-thiazol-2-one?

5-[(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methyl]-4-hydroxy-3H-1,3-thiazol-2-one has a molecular weight of 301.37 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methyl]-4-hydroxy-3H-1,3-thiazol-2-one is sourced from PubChem (CID 123538560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).