2-hydroxy-1-[(2R)-2-[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanone

C15H18N4O2S — CID 95835387

About 2-hydroxy-1-[(2R)-2-[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanone

2-hydroxy-1-[(2R)-2-[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanone (PubChem CID 95835387) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is 2-hydroxy-1-[(2R)-2-[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-hydroxy-1-[(2R)-2-[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanone
• PubChem CID: 95835387
• Molecular Formula: C15H18N4O2S
• Molecular Weight: 318.40 g/mol
• Exact Mass: 318.12
• IUPAC Name: 2-hydroxy-1-[(2R)-2-[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanone
• SMILES: Cc1csc(Nc2cccc([C@H]3CCCN3C(=O)CO)n2)n1
• InChI: InChI=1S/C15H18N4O2S/c1-10-9-22-15(16-10)18-13-6-2-4-11(17-13)12-5-3-7-19(12)14(21)8-20/h2,4,6,9,12,20H,3,5,7-8H2,1H3,(H,16,17,18)/t12-/m1/s1
• InChIKey: COBHDCLOQCPRJL-GFCCVEGCSA-N
• XLogP: 2.25
• TPSA: 78.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	318.40
LogP ≤ 5	2.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[(2R)-2-[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanone?

The IUPAC name of 2-hydroxy-1-[(2R)-2-[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanone (CID 95835387) is 2-hydroxy-1-[(2R)-2-[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanone.

What is the SMILES notation for 2-hydroxy-1-[(2R)-2-[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanone?

The canonical SMILES for 2-hydroxy-1-[(2R)-2-[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanone is Cc1csc(Nc2cccc([C@H]3CCCN3C(=O)CO)n2)n1.

What is the InChIKey of 2-hydroxy-1-[(2R)-2-[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanone?

The InChIKey is COBHDCLOQCPRJL-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-10-9-22-15(16-10)18-13-6-2-4-11(17-13)12-5-3-7-19(12)14(21)8-20/h2,4,6,9,12,20H,3,5,7-8H2,1H3,(H,16,17,18)/t12-/m1/s1.

What are the key properties of 2-hydroxy-1-[(2R)-2-[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanone?

2-hydroxy-1-[(2R)-2-[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanone has a molecular weight of 318.40 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-hydroxy-1-[(2R)-2-[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 95835387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).