1-[(2R)-2-phenyl-4-(1,3-thiazole-5-carbonyl)piperazin-1-yl]ethanone

C16H17N3O2S — CID 125020144

IUPAC1-[(2R)-2-phenyl-4-(1,3-thiazole-5-carbonyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2cncs2)C[C@H]1c1ccccc1
InChIInChI=1S/C16H17N3O2S/c1-12(20)19-8-7-18(16(21)15-9-17-11-22-15)10-14(19)13-5-3-2-4-6-13/h2-6,9,11,14H,7-8,10H2,1H3/t14-/m0/s1
InChIKeyYAXRPQLAXQURGH-AWEZNQCLSA-N
MW315.40 g/mol
LogP2.19
Rot. Bonds2

About 1-[(2R)-2-phenyl-4-(1,3-thiazole-5-carbonyl)piperazin-1-yl]ethanone

1-[(2R)-2-phenyl-4-(1,3-thiazole-5-carbonyl)piperazin-1-yl]ethanone (PubChem CID 125020144) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is 1-[(2R)-2-phenyl-4-(1,3-thiazole-5-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2R)-2-phenyl-4-(1,3-thiazole-5-carbonyl)piperazin-1-yl]ethanone
PubChem CID125020144
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC Name1-[(2R)-2-phenyl-4-(1,3-thiazole-5-carbonyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2cncs2)C[C@H]1c1ccccc1
InChIInChI=1S/C16H17N3O2S/c1-12(20)19-8-7-18(16(21)15-9-17-11-22-15)10-14(19)13-5-3-2-4-6-13/h2-6,9,11,14H,7-8,10H2,1H3/t14-/m0/s1
InChIKeyYAXRPQLAXQURGH-AWEZNQCLSA-N
XLogP2.19
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-phenyl-4-(1,3-thiazole-5-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[(2R)-2-phenyl-4-(1,3-thiazole-5-carbonyl)piperazin-1-yl]ethanone (CID 125020144) is 1-[(2R)-2-phenyl-4-(1,3-thiazole-5-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[(2R)-2-phenyl-4-(1,3-thiazole-5-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[(2R)-2-phenyl-4-(1,3-thiazole-5-carbonyl)piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)c2cncs2)C[C@H]1c1ccccc1.
What is the InChIKey of 1-[(2R)-2-phenyl-4-(1,3-thiazole-5-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is YAXRPQLAXQURGH-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-12(20)19-8-7-18(16(21)15-9-17-11-22-15)10-14(19)13-5-3-2-4-6-13/h2-6,9,11,14H,7-8,10H2,1H3/t14-/m0/s1.
What are the key properties of 1-[(2R)-2-phenyl-4-(1,3-thiazole-5-carbonyl)piperazin-1-yl]ethanone?
1-[(2R)-2-phenyl-4-(1,3-thiazole-5-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 315.40 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-phenyl-4-(1,3-thiazole-5-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 125020144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).