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

C14H21N3O2S — CID 56812669

IUPAC1-[4-(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2sc(C(C)C)nc2C)CC1
InChIInChI=1S/C14H21N3O2S/c1-9(2)13-15-10(3)12(20-13)14(19)17-7-5-16(6-8-17)11(4)18/h9H,5-8H2,1-4H3
InChIKeyZZXHOXSSOVMNQB-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.88
Rot. Bonds2

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

1-[4-(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)piperazin-1-yl]ethanone (PubChem CID 56812669) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is 1-[4-(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)piperazin-1-yl]ethanone
PubChem CID56812669
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name1-[4-(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2sc(C(C)C)nc2C)CC1
InChIInChI=1S/C14H21N3O2S/c1-9(2)13-15-10(3)12(20-13)14(19)17-7-5-16(6-8-17)11(4)18/h9H,5-8H2,1-4H3
InChIKeyZZXHOXSSOVMNQB-UHFFFAOYSA-N
XLogP1.88
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)piperazin-1-yl]ethanone (CID 56812669) is 1-[4-(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)c2sc(C(C)C)nc2C)CC1.
What is the InChIKey of 1-[4-(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is ZZXHOXSSOVMNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-9(2)13-15-10(3)12(20-13)14(19)17-7-5-16(6-8-17)11(4)18/h9H,5-8H2,1-4H3.
What are the key properties of 1-[4-(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)piperazin-1-yl]ethanone?
1-[4-(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 295.41 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 56812669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).