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

C11H15N3O2S — CID 47445163

IUPAC1-[4-(2-methyl-1,3-thiazole-4-carbonyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2csc(C)n2)CC1
InChIInChI=1S/C11H15N3O2S/c1-8-12-10(7-17-8)11(16)14-5-3-13(4-6-14)9(2)15/h7H,3-6H2,1-2H3
InChIKeyHVCHJSJRDLOPTF-UHFFFAOYSA-N
MW253.33 g/mol
LogP0.76
Rot. Bonds1

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

1-[4-(2-methyl-1,3-thiazole-4-carbonyl)piperazin-1-yl]ethanone (PubChem CID 47445163) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is 1-[4-(2-methyl-1,3-thiazole-4-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2-methyl-1,3-thiazole-4-carbonyl)piperazin-1-yl]ethanone
PubChem CID47445163
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC Name1-[4-(2-methyl-1,3-thiazole-4-carbonyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2csc(C)n2)CC1
InChIInChI=1S/C11H15N3O2S/c1-8-12-10(7-17-8)11(16)14-5-3-13(4-6-14)9(2)15/h7H,3-6H2,1-2H3
InChIKeyHVCHJSJRDLOPTF-UHFFFAOYSA-N
XLogP0.76
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2-methyl-1,3-thiazole-4-carbonyl)piperazin-1-yl]propan-1-one
CID 110645973
(3-methylazetidin-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 126992843
(4-hydroxy-4-methylpiperidin-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 80707453
(4-aminopiperidin-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 65199009
1-[4-(2-propan-2-yl-1,3-thiazole-4-carbonyl)piperazin-1-yl]ethanone
CID 110694205
(2-methyl-1,3-thiazol-4-yl)-[4-(oxan-4-yl)piperazin-1-yl]methanone
CID 131931854
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 110648961
[4-(2-aminoethyl)piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 65199184
[4-[(4-methylphenyl)methylsulfonyl]piperazin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 110646082
[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 110646062
8-(2-methyl-1,3-thiazole-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 47445313
2-methyl-9-(2-methyl-1,3-thiazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one
CID 98895841

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methyl-1,3-thiazole-4-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(2-methyl-1,3-thiazole-4-carbonyl)piperazin-1-yl]ethanone (CID 47445163) is 1-[4-(2-methyl-1,3-thiazole-4-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(2-methyl-1,3-thiazole-4-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(2-methyl-1,3-thiazole-4-carbonyl)piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)c2csc(C)n2)CC1.
What is the InChIKey of 1-[4-(2-methyl-1,3-thiazole-4-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is HVCHJSJRDLOPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c1-8-12-10(7-17-8)11(16)14-5-3-13(4-6-14)9(2)15/h7H,3-6H2,1-2H3.
What are the key properties of 1-[4-(2-methyl-1,3-thiazole-4-carbonyl)piperazin-1-yl]ethanone?
1-[4-(2-methyl-1,3-thiazole-4-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 253.33 g/mol, XLogP of 0.76, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methyl-1,3-thiazole-4-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 47445163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).