1-[4-[(2-amino-1,3-thiazol-5-yl)methyl]-2-methylpiperazin-1-yl]ethanone

C11H18N4OS — CID 76630367

IUPAC1-[4-[(2-amino-1,3-thiazol-5-yl)methyl]-2-methylpiperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(Cc2cnc(N)s2)CC1C
InChIInChI=1S/C11H18N4OS/c1-8-6-14(3-4-15(8)9(2)16)7-10-5-13-11(12)17-10/h5,8H,3-4,6-7H2,1-2H3,(H2,12,13)
InChIKeyRQPUOFVBRZZYEO-UHFFFAOYSA-N
MW254.36 g/mol
LogP0.78
Rot. Bonds2

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

1-[4-[(2-amino-1,3-thiazol-5-yl)methyl]-2-methylpiperazin-1-yl]ethanone (PubChem CID 76630367) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is 1-[4-[(2-amino-1,3-thiazol-5-yl)methyl]-2-methylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(2-amino-1,3-thiazol-5-yl)methyl]-2-methylpiperazin-1-yl]ethanone
PubChem CID76630367
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC Name1-[4-[(2-amino-1,3-thiazol-5-yl)methyl]-2-methylpiperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(Cc2cnc(N)s2)CC1C
InChIInChI=1S/C11H18N4OS/c1-8-6-14(3-4-15(8)9(2)16)7-10-5-13-11(12)17-10/h5,8H,3-4,6-7H2,1-2H3,(H2,12,13)
InChIKeyRQPUOFVBRZZYEO-UHFFFAOYSA-N
XLogP0.78
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-amino-1,3-thiazol-5-yl)methyl]-2-methylpiperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[(2-amino-1,3-thiazol-5-yl)methyl]-2-methylpiperazin-1-yl]ethanone (CID 76630367) is 1-[4-[(2-amino-1,3-thiazol-5-yl)methyl]-2-methylpiperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(2-amino-1,3-thiazol-5-yl)methyl]-2-methylpiperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(2-amino-1,3-thiazol-5-yl)methyl]-2-methylpiperazin-1-yl]ethanone is CC(=O)N1CCN(Cc2cnc(N)s2)CC1C.
What is the InChIKey of 1-[4-[(2-amino-1,3-thiazol-5-yl)methyl]-2-methylpiperazin-1-yl]ethanone?
The InChIKey is RQPUOFVBRZZYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-8-6-14(3-4-15(8)9(2)16)7-10-5-13-11(12)17-10/h5,8H,3-4,6-7H2,1-2H3,(H2,12,13).
What are the key properties of 1-[4-[(2-amino-1,3-thiazol-5-yl)methyl]-2-methylpiperazin-1-yl]ethanone?
1-[4-[(2-amino-1,3-thiazol-5-yl)methyl]-2-methylpiperazin-1-yl]ethanone has a molecular weight of 254.36 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-amino-1,3-thiazol-5-yl)methyl]-2-methylpiperazin-1-yl]ethanone is sourced from PubChem (CID 76630367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).