3,3-dimethyl-4-[2-(1,3-thiazol-4-yl)acetyl]piperazin-2-one

C11H15N3O2S — CID 110475980

IUPAC3,3-dimethyl-4-[2-(1,3-thiazol-4-yl)acetyl]piperazin-2-one
SMILESCC1(C)C(=O)NCCN1C(=O)Cc1cscn1
InChIInChI=1S/C11H15N3O2S/c1-11(2)10(16)12-3-4-14(11)9(15)5-8-6-17-7-13-8/h6-7H,3-5H2,1-2H3,(H,12,16)
InChIKeyLOYJQZOLOVYZKQ-UHFFFAOYSA-N
MW253.33 g/mol
LogP0.42
Rot. Bonds2

About 3,3-dimethyl-4-[2-(1,3-thiazol-4-yl)acetyl]piperazin-2-one

3,3-dimethyl-4-[2-(1,3-thiazol-4-yl)acetyl]piperazin-2-one (PubChem CID 110475980) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is 3,3-dimethyl-4-[2-(1,3-thiazol-4-yl)acetyl]piperazin-2-one.

Molecular Properties

Compound Name3,3-dimethyl-4-[2-(1,3-thiazol-4-yl)acetyl]piperazin-2-one
PubChem CID110475980
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC Name3,3-dimethyl-4-[2-(1,3-thiazol-4-yl)acetyl]piperazin-2-one
SMILESCC1(C)C(=O)NCCN1C(=O)Cc1cscn1
InChIInChI=1S/C11H15N3O2S/c1-11(2)10(16)12-3-4-14(11)9(15)5-8-6-17-7-13-8/h6-7H,3-5H2,1-2H3,(H,12,16)
InChIKeyLOYJQZOLOVYZKQ-UHFFFAOYSA-N
XLogP0.42
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(1,3-thiazol-4-yl)acetyl]piperazin-2-one
CID 110475971
3,3-dimethyl-4-[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]piperazin-2-one
CID 63606359
3,3-dimethyl-4-[3-(2-methylphenyl)propanoyl]piperazin-2-one
CID 63605872
3,3-dimethyl-4-(2-methylsulfonylacetyl)piperazin-2-one
CID 63938495
3,3-dimethyl-4-(2-pyrazol-1-ylacetyl)piperazin-2-one
CID 63362374
N-[2-(2,2-dimethyl-3-oxopiperazin-1-yl)-2-oxoethyl]acetamide
CID 63605846
4-(3,4-dimethylhexanoyl)-3,3-dimethylpiperazin-2-one
CID 23790775
4-[2-(cyclopentylamino)acetyl]-3,3-dimethylpiperazin-2-one
CID 63606898
4-[2-(2-methoxyethoxy)acetyl]-3,3-dimethylpiperazin-2-one
CID 63607388
4-[3-(ethylamino)propanoyl]-3,3-dimethylpiperazin-2-one
CID 63607222
4-[2-(2-methoxyphenoxy)acetyl]-3,3-dimethylpiperazin-2-one
CID 63362344
3,3-dimethyl-4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-2-one
CID 63607225

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-[2-(1,3-thiazol-4-yl)acetyl]piperazin-2-one?
The IUPAC name of 3,3-dimethyl-4-[2-(1,3-thiazol-4-yl)acetyl]piperazin-2-one (CID 110475980) is 3,3-dimethyl-4-[2-(1,3-thiazol-4-yl)acetyl]piperazin-2-one.
What is the SMILES notation for 3,3-dimethyl-4-[2-(1,3-thiazol-4-yl)acetyl]piperazin-2-one?
The canonical SMILES for 3,3-dimethyl-4-[2-(1,3-thiazol-4-yl)acetyl]piperazin-2-one is CC1(C)C(=O)NCCN1C(=O)Cc1cscn1.
What is the InChIKey of 3,3-dimethyl-4-[2-(1,3-thiazol-4-yl)acetyl]piperazin-2-one?
The InChIKey is LOYJQZOLOVYZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c1-11(2)10(16)12-3-4-14(11)9(15)5-8-6-17-7-13-8/h6-7H,3-5H2,1-2H3,(H,12,16).
What are the key properties of 3,3-dimethyl-4-[2-(1,3-thiazol-4-yl)acetyl]piperazin-2-one?
3,3-dimethyl-4-[2-(1,3-thiazol-4-yl)acetyl]piperazin-2-one has a molecular weight of 253.33 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-[2-(1,3-thiazol-4-yl)acetyl]piperazin-2-one is sourced from PubChem (CID 110475980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).