2-amino-1-[(2R)-2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanone

C15H19N5OS — CID 95842802

About 2-amino-1-[(2R)-2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanone

2-amino-1-[(2R)-2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanone (PubChem CID 95842802) has the molecular formula C15H19N5OS and a molecular weight of 317.42 g/mol. Its IUPAC name is 2-amino-1-[(2R)-2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-amino-1-[(2R)-2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanone
• PubChem CID: 95842802
• Molecular Formula: C15H19N5OS
• Molecular Weight: 317.42 g/mol
• Exact Mass: 317.13
• IUPAC Name: 2-amino-1-[(2R)-2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanone
• SMILES: Cc1cnc(Nc2cccc([C@H]3CCCN3C(=O)CN)n2)s1
• InChI: InChI=1S/C15H19N5OS/c1-10-9-17-15(22-10)19-13-6-2-4-11(18-13)12-5-3-7-20(12)14(21)8-16/h2,4,6,9,12H,3,5,7-8,16H2,1H3,(H,17,18,19)/t12-/m1/s1
• InChIKey: STLQNMQOLVOGNW-GFCCVEGCSA-N
• XLogP: 2.21
• TPSA: 84.14 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	317.42
LogP ≤ 5	2.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[(2R)-2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanone?

The IUPAC name of 2-amino-1-[(2R)-2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanone (CID 95842802) is 2-amino-1-[(2R)-2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanone.

What is the SMILES notation for 2-amino-1-[(2R)-2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanone?

The canonical SMILES for 2-amino-1-[(2R)-2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanone is Cc1cnc(Nc2cccc([C@H]3CCCN3C(=O)CN)n2)s1.

What is the InChIKey of 2-amino-1-[(2R)-2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanone?

The InChIKey is STLQNMQOLVOGNW-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H19N5OS/c1-10-9-17-15(22-10)19-13-6-2-4-11(18-13)12-5-3-7-20(12)14(21)8-16/h2,4,6,9,12H,3,5,7-8,16H2,1H3,(H,17,18,19)/t12-/m1/s1.

What are the key properties of 2-amino-1-[(2R)-2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanone?

2-amino-1-[(2R)-2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanone has a molecular weight of 317.42 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-1-[(2R)-2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 95842802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).