2-(dimethylamino)-1-[(2R)-2-[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]ethanone

C16H21N5OS — CID 95835392

About 2-(dimethylamino)-1-[(2R)-2-[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]ethanone

2-(dimethylamino)-1-[(2R)-2-[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]ethanone (PubChem CID 95835392) has the molecular formula C16H21N5OS and a molecular weight of 331.45 g/mol. Its IUPAC name is 2-(dimethylamino)-1-[(2R)-2-[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-(dimethylamino)-1-[(2R)-2-[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]ethanone
• PubChem CID: 95835392
• Molecular Formula: C16H21N5OS
• Molecular Weight: 331.45 g/mol
• Exact Mass: 331.15
• IUPAC Name: 2-(dimethylamino)-1-[(2R)-2-[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]ethanone
• SMILES: CN(C)CC(=O)N1CCC[C@@H]1c1cccc(Nc2nccs2)n1
• InChI: InChI=1S/C16H21N5OS/c1-20(2)11-15(22)21-9-4-6-13(21)12-5-3-7-14(18-12)19-16-17-8-10-23-16/h3,5,7-8,10,13H,4,6,9,11H2,1-2H3,(H,17,18,19)/t13-/m1/s1
• InChIKey: APESDAXJLAAUAU-CYBMUJFWSA-N
• XLogP: 2.51
• TPSA: 61.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	331.45
LogP ≤ 5	2.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-(dimethylamino)-1-[(2R)-2-[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]ethanone (CID 95835392) is 2-(dimethylamino)-1-[(2R)-2-[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]ethanone.

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

The canonical SMILES for 2-(dimethylamino)-1-[(2R)-2-[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]ethanone is CN(C)CC(=O)N1CCC[C@@H]1c1cccc(Nc2nccs2)n1.

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

The InChIKey is APESDAXJLAAUAU-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H21N5OS/c1-20(2)11-15(22)21-9-4-6-13(21)12-5-3-7-14(18-12)19-16-17-8-10-23-16/h3,5,7-8,10,13H,4,6,9,11H2,1-2H3,(H,17,18,19)/t13-/m1/s1.

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

2-(dimethylamino)-1-[(2R)-2-[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]ethanone has a molecular weight of 331.45 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(dimethylamino)-1-[(2R)-2-[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 95835392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).