1-[4-[(2-amino-4-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-2-methoxyethanone

C12H20N4O2S — CID 82338184

IUPAC1-[4-[(2-amino-4-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCN(Cc2sc(N)nc2C)CC1
InChIInChI=1S/C12H20N4O2S/c1-9-10(19-12(13)14-9)7-15-3-5-16(6-4-15)11(17)8-18-2/h3-8H2,1-2H3,(H2,13,14)
InChIKeyPYEVKTSSXUNXEO-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.32
Rot. Bonds4

About 1-[4-[(2-amino-4-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-2-methoxyethanone

1-[4-[(2-amino-4-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-2-methoxyethanone (PubChem CID 82338184) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is 1-[4-[(2-amino-4-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[4-[(2-amino-4-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-2-methoxyethanone
PubChem CID82338184
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC Name1-[4-[(2-amino-4-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCN(Cc2sc(N)nc2C)CC1
InChIInChI=1S/C12H20N4O2S/c1-9-10(19-12(13)14-9)7-15-3-5-16(6-4-15)11(17)8-18-2/h3-8H2,1-2H3,(H2,13,14)
InChIKeyPYEVKTSSXUNXEO-UHFFFAOYSA-N
XLogP0.32
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-amino-4-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[4-[(2-amino-4-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-2-methoxyethanone (CID 82338184) is 1-[4-[(2-amino-4-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[4-[(2-amino-4-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[4-[(2-amino-4-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-2-methoxyethanone is COCC(=O)N1CCN(Cc2sc(N)nc2C)CC1.
What is the InChIKey of 1-[4-[(2-amino-4-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-2-methoxyethanone?
The InChIKey is PYEVKTSSXUNXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-9-10(19-12(13)14-9)7-15-3-5-16(6-4-15)11(17)8-18-2/h3-8H2,1-2H3,(H2,13,14).
What are the key properties of 1-[4-[(2-amino-4-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-2-methoxyethanone?
1-[4-[(2-amino-4-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-2-methoxyethanone has a molecular weight of 284.38 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-amino-4-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 82338184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).