1-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-2-[2-[(1R)-1-ethoxyethyl]-1,3-thiazol-4-yl]ethanone

C15H25N3O2S — CID 124590393

IUPAC1-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-2-[2-[(1R)-1-ethoxyethyl]-1,3-thiazol-4-yl]ethanone
SMILESCCO[C@H](C)c1nc(CC(=O)N2C[C@@H](C)N[C@H](C)C2)cs1
InChIInChI=1S/C15H25N3O2S/c1-5-20-12(4)15-17-13(9-21-15)6-14(19)18-7-10(2)16-11(3)8-18/h9-12,16H,5-8H2,1-4H3/t10-,11-,12-/m1/s1
InChIKeyNWDZBJOSQLFDMI-IJLUTSLNSA-N
MW311.45 g/mol
LogP1.99
Rot. Bonds5

About 1-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-2-[2-[(1R)-1-ethoxyethyl]-1,3-thiazol-4-yl]ethanone

1-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-2-[2-[(1R)-1-ethoxyethyl]-1,3-thiazol-4-yl]ethanone (PubChem CID 124590393) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 1-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-2-[2-[(1R)-1-ethoxyethyl]-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-2-[2-[(1R)-1-ethoxyethyl]-1,3-thiazol-4-yl]ethanone
PubChem CID124590393
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name1-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-2-[2-[(1R)-1-ethoxyethyl]-1,3-thiazol-4-yl]ethanone
SMILESCCO[C@H](C)c1nc(CC(=O)N2C[C@@H](C)N[C@H](C)C2)cs1
InChIInChI=1S/C15H25N3O2S/c1-5-20-12(4)15-17-13(9-21-15)6-14(19)18-7-10(2)16-11(3)8-18/h9-12,16H,5-8H2,1-4H3/t10-,11-,12-/m1/s1
InChIKeyNWDZBJOSQLFDMI-IJLUTSLNSA-N
XLogP1.99
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-2-[2-[(1R)-1-ethoxyethyl]-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 1-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-2-[2-[(1R)-1-ethoxyethyl]-1,3-thiazol-4-yl]ethanone (CID 124590393) is 1-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-2-[2-[(1R)-1-ethoxyethyl]-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-2-[2-[(1R)-1-ethoxyethyl]-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-2-[2-[(1R)-1-ethoxyethyl]-1,3-thiazol-4-yl]ethanone is CCO[C@H](C)c1nc(CC(=O)N2C[C@@H](C)N[C@H](C)C2)cs1.
What is the InChIKey of 1-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-2-[2-[(1R)-1-ethoxyethyl]-1,3-thiazol-4-yl]ethanone?
The InChIKey is NWDZBJOSQLFDMI-IJLUTSLNSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-5-20-12(4)15-17-13(9-21-15)6-14(19)18-7-10(2)16-11(3)8-18/h9-12,16H,5-8H2,1-4H3/t10-,11-,12-/m1/s1.
What are the key properties of 1-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-2-[2-[(1R)-1-ethoxyethyl]-1,3-thiazol-4-yl]ethanone?
1-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-2-[2-[(1R)-1-ethoxyethyl]-1,3-thiazol-4-yl]ethanone has a molecular weight of 311.45 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-2-[2-[(1R)-1-ethoxyethyl]-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 124590393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).