N-[6-[(2R)-4-[(1,5-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-2-pyridinyl]-4,5-dimethyl-1,3-thiazol-2-amine

C20H26N6OS — CID 124943201

About N-[6-[(2R)-4-[(1,5-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-2-pyridinyl]-4,5-dimethyl-1,3-thiazol-2-amine

N-[6-[(2R)-4-[(1,5-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-2-pyridinyl]-4,5-dimethyl-1,3-thiazol-2-amine (PubChem CID 124943201) has the molecular formula C20H26N6OS and a molecular weight of 398.54 g/mol. Its IUPAC name is N-[6-[(2R)-4-[(1,5-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-2-pyridinyl]-4,5-dimethyl-1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: N-[6-[(2R)-4-[(1,5-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-2-pyridinyl]-4,5-dimethyl-1,3-thiazol-2-amine
• PubChem CID: 124943201
• Molecular Formula: C20H26N6OS
• Molecular Weight: 398.54 g/mol
• Exact Mass: 398.19
• IUPAC Name: N-[6-[(2R)-4-[(1,5-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-2-pyridinyl]-4,5-dimethyl-1,3-thiazol-2-amine
• SMILES: Cc1nc(Nc2cccc([C@H]3CN(Cc4cnn(C)c4C)CCO3)n2)sc1C
• InChI: InChI=1S/C20H26N6OS/c1-13-15(3)28-20(22-13)24-19-7-5-6-17(23-19)18-12-26(8-9-27-18)11-16-10-21-25(4)14(16)2/h5-7,10,18H,8-9,11-12H2,1-4H3,(H,22,23,24)/t18-/m1/s1
• InChIKey: BAVXQOGJXZPYSB-GOSISDBHSA-N
• XLogP: 3.51
• TPSA: 68.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.54
LogP ≤ 5	3.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[6-[(2R)-4-[(1,5-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-2-pyridinyl]-4,5-dimethyl-1,3-thiazol-2-amine?

The IUPAC name of N-[6-[(2R)-4-[(1,5-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-2-pyridinyl]-4,5-dimethyl-1,3-thiazol-2-amine (CID 124943201) is N-[6-[(2R)-4-[(1,5-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-2-pyridinyl]-4,5-dimethyl-1,3-thiazol-2-amine.

What is the SMILES notation for N-[6-[(2R)-4-[(1,5-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-2-pyridinyl]-4,5-dimethyl-1,3-thiazol-2-amine?

The canonical SMILES for N-[6-[(2R)-4-[(1,5-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-2-pyridinyl]-4,5-dimethyl-1,3-thiazol-2-amine is Cc1nc(Nc2cccc([C@H]3CN(Cc4cnn(C)c4C)CCO3)n2)sc1C.

What is the InChIKey of N-[6-[(2R)-4-[(1,5-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-2-pyridinyl]-4,5-dimethyl-1,3-thiazol-2-amine?

The InChIKey is BAVXQOGJXZPYSB-GOSISDBHSA-N. The full InChI is InChI=1S/C20H26N6OS/c1-13-15(3)28-20(22-13)24-19-7-5-6-17(23-19)18-12-26(8-9-27-18)11-16-10-21-25(4)14(16)2/h5-7,10,18H,8-9,11-12H2,1-4H3,(H,22,23,24)/t18-/m1/s1.

What are the key properties of N-[6-[(2R)-4-[(1,5-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-2-pyridinyl]-4,5-dimethyl-1,3-thiazol-2-amine?

N-[6-[(2R)-4-[(1,5-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-2-pyridinyl]-4,5-dimethyl-1,3-thiazol-2-amine has a molecular weight of 398.54 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[(2R)-4-[(1,5-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-2-pyridinyl]-4,5-dimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 124943201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).