2-[[(2R,6S)-2,6-dimethylpiperazin-1-yl]methyl]-1,3-thiazole

C10H17N3S — CID 57462209

IUPAC2-[[(2R,6S)-2,6-dimethylpiperazin-1-yl]methyl]-1,3-thiazole
SMILESC[C@@H]1CNC[C@H](C)N1Cc1nccs1
InChIInChI=1S/C10H17N3S/c1-8-5-11-6-9(2)13(8)7-10-12-3-4-14-10/h3-4,8-9,11H,5-7H2,1-2H3/t8-,9+
InChIKeyXVAWKEUDXBAMEK-DTORHVGOSA-N
MW211.33 g/mol
LogP1.33
Rot. Bonds2

About 2-[[(2R,6S)-2,6-dimethylpiperazin-1-yl]methyl]-1,3-thiazole

2-[[(2R,6S)-2,6-dimethylpiperazin-1-yl]methyl]-1,3-thiazole (PubChem CID 57462209) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is 2-[[(2R,6S)-2,6-dimethylpiperazin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[[(2R,6S)-2,6-dimethylpiperazin-1-yl]methyl]-1,3-thiazole
PubChem CID57462209
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Name2-[[(2R,6S)-2,6-dimethylpiperazin-1-yl]methyl]-1,3-thiazole
SMILESC[C@@H]1CNC[C@H](C)N1Cc1nccs1
InChIInChI=1S/C10H17N3S/c1-8-5-11-6-9(2)13(8)7-10-12-3-4-14-10/h3-4,8-9,11H,5-7H2,1-2H3/t8-,9+
InChIKeyXVAWKEUDXBAMEK-DTORHVGOSA-N
XLogP1.33
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2R,6S)-2,6-dimethylpiperazin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-[[(2R,6S)-2,6-dimethylpiperazin-1-yl]methyl]-1,3-thiazole (CID 57462209) is 2-[[(2R,6S)-2,6-dimethylpiperazin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-[[(2R,6S)-2,6-dimethylpiperazin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-[[(2R,6S)-2,6-dimethylpiperazin-1-yl]methyl]-1,3-thiazole is C[C@@H]1CNC[C@H](C)N1Cc1nccs1.
What is the InChIKey of 2-[[(2R,6S)-2,6-dimethylpiperazin-1-yl]methyl]-1,3-thiazole?
The InChIKey is XVAWKEUDXBAMEK-DTORHVGOSA-N. The full InChI is InChI=1S/C10H17N3S/c1-8-5-11-6-9(2)13(8)7-10-12-3-4-14-10/h3-4,8-9,11H,5-7H2,1-2H3/t8-,9+.
What are the key properties of 2-[[(2R,6S)-2,6-dimethylpiperazin-1-yl]methyl]-1,3-thiazole?
2-[[(2R,6S)-2,6-dimethylpiperazin-1-yl]methyl]-1,3-thiazole has a molecular weight of 211.33 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R,6S)-2,6-dimethylpiperazin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 57462209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).