1-[4-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]ethanone

C11H16N4O2S — CID 62792562

IUPAC1-[4-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2sc(N)nc2C)CC1
InChIInChI=1S/C11H16N4O2S/c1-7-9(18-11(12)13-7)10(17)15-5-3-14(4-6-15)8(2)16/h3-6H2,1-2H3,(H2,12,13)
InChIKeyNOXTXGPBNLSARN-UHFFFAOYSA-N
MW268.34 g/mol
LogP0.34
Rot. Bonds1

About 1-[4-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]ethanone

1-[4-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]ethanone (PubChem CID 62792562) has the molecular formula C11H16N4O2S and a molecular weight of 268.34 g/mol. Its IUPAC name is 1-[4-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]ethanone
PubChem CID62792562
Molecular FormulaC11H16N4O2S
Molecular Weight268.34 g/mol
Exact Mass268.10
IUPAC Name1-[4-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2sc(N)nc2C)CC1
InChIInChI=1S/C11H16N4O2S/c1-7-9(18-11(12)13-7)10(17)15-5-3-14(4-6-15)8(2)16/h3-6H2,1-2H3,(H2,12,13)
InChIKeyNOXTXGPBNLSARN-UHFFFAOYSA-N
XLogP0.34
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 50.34
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-4-methyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]ethanone (CID 62792562) is 1-[4-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)c2sc(N)nc2C)CC1.
What is the InChIKey of 1-[4-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is NOXTXGPBNLSARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2S/c1-7-9(18-11(12)13-7)10(17)15-5-3-14(4-6-15)8(2)16/h3-6H2,1-2H3,(H2,12,13).
What are the key properties of 1-[4-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]ethanone?
1-[4-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 268.34 g/mol, XLogP of 0.34, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 62792562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).