[(2S)-2-methylpiperazin-1-yl]-(1,3-thiazol-4-yl)methanone

C9H13N3OS — CID 82705199

IUPAC[(2S)-2-methylpiperazin-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESC[C@H]1CNCCN1C(=O)c1cscn1
InChIInChI=1S/C9H13N3OS/c1-7-4-10-2-3-12(7)9(13)8-5-14-6-11-8/h5-7,10H,2-4H2,1H3/t7-/m0/s1
InChIKeyQSGKPGTUUUUVTM-ZETCQYMHSA-N
MW211.29 g/mol
LogP0.58
Rot. Bonds1

About [(2S)-2-methylpiperazin-1-yl]-(1,3-thiazol-4-yl)methanone

[(2S)-2-methylpiperazin-1-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 82705199) has the molecular formula C9H13N3OS and a molecular weight of 211.29 g/mol. Its IUPAC name is [(2S)-2-methylpiperazin-1-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-methylpiperazin-1-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID82705199
Molecular FormulaC9H13N3OS
Molecular Weight211.29 g/mol
Exact Mass211.08
IUPAC Name[(2S)-2-methylpiperazin-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESC[C@H]1CNCCN1C(=O)c1cscn1
InChIInChI=1S/C9H13N3OS/c1-7-4-10-2-3-12(7)9(13)8-5-14-6-11-8/h5-7,10H,2-4H2,1H3/t7-/m0/s1
InChIKeyQSGKPGTUUUUVTM-ZETCQYMHSA-N
XLogP0.58
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2S)-2-methylpiperazin-1-yl]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [(2S)-2-methylpiperazin-1-yl]-(1,3-thiazol-4-yl)methanone (CID 82705199) is [(2S)-2-methylpiperazin-1-yl]-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [(2S)-2-methylpiperazin-1-yl]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [(2S)-2-methylpiperazin-1-yl]-(1,3-thiazol-4-yl)methanone is C[C@H]1CNCCN1C(=O)c1cscn1.
What is the InChIKey of [(2S)-2-methylpiperazin-1-yl]-(1,3-thiazol-4-yl)methanone?
The InChIKey is QSGKPGTUUUUVTM-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H13N3OS/c1-7-4-10-2-3-12(7)9(13)8-5-14-6-11-8/h5-7,10H,2-4H2,1H3/t7-/m0/s1.
What are the key properties of [(2S)-2-methylpiperazin-1-yl]-(1,3-thiazol-4-yl)methanone?
[(2S)-2-methylpiperazin-1-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 211.29 g/mol, XLogP of 0.58, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-methylpiperazin-1-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 82705199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).