3-cyclopropyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazine-2,5-dione

C12H15N3O2S — CID 64966356

IUPAC3-cyclopropyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazine-2,5-dione
SMILESCc1csc(CN2CC(=O)NC(C3CC3)C2=O)n1
InChIInChI=1S/C12H15N3O2S/c1-7-6-18-10(13-7)5-15-4-9(16)14-11(12(15)17)8-2-3-8/h6,8,11H,2-5H2,1H3,(H,14,16)
InChIKeyITCXTGDELFECNJ-UHFFFAOYSA-N
MW265.34 g/mol
LogP0.69
Rot. Bonds3

About 3-cyclopropyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazine-2,5-dione

3-cyclopropyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazine-2,5-dione (PubChem CID 64966356) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is 3-cyclopropyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazine-2,5-dione
PubChem CID64966356
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name3-cyclopropyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazine-2,5-dione
SMILESCc1csc(CN2CC(=O)NC(C3CC3)C2=O)n1
InChIInChI=1S/C12H15N3O2S/c1-7-6-18-10(13-7)5-15-4-9(16)14-11(12(15)17)8-2-3-8/h6,8,11H,2-5H2,1H3,(H,14,16)
InChIKeyITCXTGDELFECNJ-UHFFFAOYSA-N
XLogP0.69
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-propan-2-ylpiperazine-2,5-dione
CID 64966344
3-ethyl-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione
CID 64970556
3-cyclopropyl-1-[(2-ethylphenyl)methyl]piperazine-2,5-dione
CID 64973621
3-cyclopropyl-1-[(2,5-dimethylphenyl)methyl]piperazine-2,5-dione
CID 64879445
3-methyl-1-(1,3-thiazol-2-ylmethyl)piperazine-2,5-dione
CID 64966359
3-cyclopropyl-1-propylpiperazine-2,5-dione
CID 64879619
3-cyclopropyl-1-[(4-propan-2-ylphenyl)methyl]piperazine-2,5-dione
CID 64879437
3-cyclopropyl-1-(2-methylpropyl)piperazine-2,5-dione
CID 64881556
3-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-2,5-dione
CID 64966457
3-cyclopropyl-1-(pyridazin-3-ylmethyl)piperazine-2,5-dione
CID 106897976
1-[(2-bromophenyl)methyl]-3-cyclopropylpiperazine-2,5-dione
CID 64879430
1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione
CID 64955773

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazine-2,5-dione?
The IUPAC name of 3-cyclopropyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazine-2,5-dione (CID 64966356) is 3-cyclopropyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazine-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazine-2,5-dione?
The canonical SMILES for 3-cyclopropyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazine-2,5-dione is Cc1csc(CN2CC(=O)NC(C3CC3)C2=O)n1.
What is the InChIKey of 3-cyclopropyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazine-2,5-dione?
The InChIKey is ITCXTGDELFECNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-7-6-18-10(13-7)5-15-4-9(16)14-11(12(15)17)8-2-3-8/h6,8,11H,2-5H2,1H3,(H,14,16).
What are the key properties of 3-cyclopropyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazine-2,5-dione?
3-cyclopropyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazine-2,5-dione has a molecular weight of 265.34 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazine-2,5-dione is sourced from PubChem (CID 64966356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).