N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide

C15H19N5O2S — CID 124989158

About N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide

N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (PubChem CID 124989158) has the molecular formula C15H19N5O2S and a molecular weight of 333.42 g/mol. Its IUPAC name is N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

• Compound Name: N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
• PubChem CID: 124989158
• Molecular Formula: C15H19N5O2S
• Molecular Weight: 333.42 g/mol
• Exact Mass: 333.13
• IUPAC Name: N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
• SMILES: Cc1nc(CC(=O)NC[C@@]2(O)CCN(c3ncccn3)C2)cs1
• InChI: InChI=1S/C15H19N5O2S/c1-11-19-12(8-23-11)7-13(21)18-9-15(22)3-6-20(10-15)14-16-4-2-5-17-14/h2,4-5,8,22H,3,6-7,9-10H2,1H3,(H,18,21)/t15-/m0/s1
• InChIKey: OSIJHMWEGBHING-HNNXBMFYSA-N
• XLogP: 0.54
• TPSA: 91.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	333.42
LogP ≤ 5	0.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?

The IUPAC name of N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (CID 124989158) is N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.

What is the SMILES notation for N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?

The canonical SMILES for N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is Cc1nc(CC(=O)NC[C@@]2(O)CCN(c3ncccn3)C2)cs1.

What is the InChIKey of N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?

The InChIKey is OSIJHMWEGBHING-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H19N5O2S/c1-11-19-12(8-23-11)7-13(21)18-9-15(22)3-6-20(10-15)14-16-4-2-5-17-14/h2,4-5,8,22H,3,6-7,9-10H2,1H3,(H,18,21)/t15-/m0/s1.

What are the key properties of N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?

N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 333.42 g/mol, XLogP of 0.54, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 124989158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).