1-[(2R)-2-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one

C15H19N5OS — CID 95844570

About 1-[(2R)-2-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one

1-[(2R)-2-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one (PubChem CID 95844570) has the molecular formula C15H19N5OS and a molecular weight of 317.42 g/mol. Its IUPAC name is 1-[(2R)-2-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one.

Molecular Properties

• Compound Name: 1-[(2R)-2-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one
• PubChem CID: 95844570
• Molecular Formula: C15H19N5OS
• Molecular Weight: 317.42 g/mol
• Exact Mass: 317.13
• IUPAC Name: 1-[(2R)-2-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one
• SMILES: CCC(=O)N1CCC[C@@H]1c1nccnc1Nc1nc(C)cs1
• InChI: InChI=1S/C15H19N5OS/c1-3-12(21)20-8-4-5-11(20)13-14(17-7-6-16-13)19-15-18-10(2)9-22-15/h6-7,9,11H,3-5,8H2,1-2H3,(H,17,18,19)/t11-/m1/s1
• InChIKey: HIVJIQPIGOQKCO-LLVKDONJSA-N
• XLogP: 3.06
• TPSA: 71.01 Ų
• H-Bond Donors: 1
• 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	3.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one?

The IUPAC name of 1-[(2R)-2-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one (CID 95844570) is 1-[(2R)-2-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one.

What is the SMILES notation for 1-[(2R)-2-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one?

The canonical SMILES for 1-[(2R)-2-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one is CCC(=O)N1CCC[C@@H]1c1nccnc1Nc1nc(C)cs1.

What is the InChIKey of 1-[(2R)-2-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one?

The InChIKey is HIVJIQPIGOQKCO-LLVKDONJSA-N. The full InChI is InChI=1S/C15H19N5OS/c1-3-12(21)20-8-4-5-11(20)13-14(17-7-6-16-13)19-15-18-10(2)9-22-15/h6-7,9,11H,3-5,8H2,1-2H3,(H,17,18,19)/t11-/m1/s1.

What are the key properties of 1-[(2R)-2-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one?

1-[(2R)-2-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one has a molecular weight of 317.42 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2R)-2-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 95844570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).