[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone

C15H17N3O2S — CID 129418276

About [(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone

[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone (PubChem CID 129418276) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is [(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone.

Molecular Properties

• Compound Name: [(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
• PubChem CID: 129418276
• Molecular Formula: C15H17N3O2S
• Molecular Weight: 303.39 g/mol
• Exact Mass: 303.10
• IUPAC Name: [(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
• SMILES: Cc1ccc(O[C@H]2CCN(C(=O)c3csc(C)n3)C2)nc1
• InChI: InChI=1S/C15H17N3O2S/c1-10-3-4-14(16-7-10)20-12-5-6-18(8-12)15(19)13-9-21-11(2)17-13/h3-4,7,9,12H,5-6,8H2,1-2H3/t12-/m0/s1
• InChIKey: ZHNOFHAGSDFXCU-LBPRGKRZSA-N
• XLogP: 2.45
• TPSA: 55.32 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	303.39
LogP ≤ 5	2.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?

The IUPAC name of [(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone (CID 129418276) is [(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone.

What is the SMILES notation for [(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?

The canonical SMILES for [(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone is Cc1ccc(O[C@H]2CCN(C(=O)c3csc(C)n3)C2)nc1.

What is the InChIKey of [(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?

The InChIKey is ZHNOFHAGSDFXCU-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-10-3-4-14(16-7-10)20-12-5-6-18(8-12)15(19)13-9-21-11(2)17-13/h3-4,7,9,12H,5-6,8H2,1-2H3/t12-/m0/s1.

What are the key properties of [(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?

[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone has a molecular weight of 303.39 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 129418276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).