1-[(2S)-2-methyl-4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]ethanone

C11H17N3OS — CID 141277856

IUPAC1-[(2S)-2-methyl-4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(Cc2cncs2)C[C@@H]1C
InChIInChI=1S/C11H17N3OS/c1-9-6-13(3-4-14(9)10(2)15)7-11-5-12-8-16-11/h5,8-9H,3-4,6-7H2,1-2H3/t9-/m0/s1
InChIKeyVVSNUKJCBQCCLX-VIFPVBQESA-N
MW239.34 g/mol
LogP1.20
Rot. Bonds2

About 1-[(2S)-2-methyl-4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]ethanone

1-[(2S)-2-methyl-4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]ethanone (PubChem CID 141277856) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 1-[(2S)-2-methyl-4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2S)-2-methyl-4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]ethanone
PubChem CID141277856
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name1-[(2S)-2-methyl-4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(Cc2cncs2)C[C@@H]1C
InChIInChI=1S/C11H17N3OS/c1-9-6-13(3-4-14(9)10(2)15)7-11-5-12-8-16-11/h5,8-9H,3-4,6-7H2,1-2H3/t9-/m0/s1
InChIKeyVVSNUKJCBQCCLX-VIFPVBQESA-N
XLogP1.20
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-methyl-4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[(2S)-2-methyl-4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]ethanone (CID 141277856) is 1-[(2S)-2-methyl-4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[(2S)-2-methyl-4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[(2S)-2-methyl-4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]ethanone is CC(=O)N1CCN(Cc2cncs2)C[C@@H]1C.
What is the InChIKey of 1-[(2S)-2-methyl-4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]ethanone?
The InChIKey is VVSNUKJCBQCCLX-VIFPVBQESA-N. The full InChI is InChI=1S/C11H17N3OS/c1-9-6-13(3-4-14(9)10(2)15)7-11-5-12-8-16-11/h5,8-9H,3-4,6-7H2,1-2H3/t9-/m0/s1.
What are the key properties of 1-[(2S)-2-methyl-4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]ethanone?
1-[(2S)-2-methyl-4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]ethanone has a molecular weight of 239.34 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-methyl-4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 141277856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).