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

C13H17N3O2S — CID 64965764

IUPAC3-cyclopropyl-3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazine-2,5-dione
SMILESCc1ncc(CN2CC(=O)NC(C)(C3CC3)C2=O)s1
InChIInChI=1S/C13H17N3O2S/c1-8-14-5-10(19-8)6-16-7-11(17)15-13(2,12(16)18)9-3-4-9/h5,9H,3-4,6-7H2,1-2H3,(H,15,17)
InChIKeyCKDCNOFWQDYKFX-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.08
Rot. Bonds3

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

3-cyclopropyl-3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazine-2,5-dione (PubChem CID 64965764) has the molecular formula C13H17N3O2S and a molecular weight of 279.36 g/mol. Its IUPAC name is 3-cyclopropyl-3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazine-2,5-dione
PubChem CID64965764
Molecular FormulaC13H17N3O2S
Molecular Weight279.36 g/mol
Exact Mass279.10
IUPAC Name3-cyclopropyl-3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazine-2,5-dione
SMILESCc1ncc(CN2CC(=O)NC(C)(C3CC3)C2=O)s1
InChIInChI=1S/C13H17N3O2S/c1-8-14-5-10(19-8)6-16-7-11(17)15-13(2,12(16)18)9-3-4-9/h5,9H,3-4,6-7H2,1-2H3,(H,15,17)
InChIKeyCKDCNOFWQDYKFX-UHFFFAOYSA-N
XLogP1.08
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

9-[(2-methyl-1,3-thiazol-5-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64965860
3-cyclopropyl-3-methyl-1-[(5-methylfuran-2-yl)methyl]piperazine-2,5-dione
CID 64969163
3-cyclopropyl-3-methyl-1-(2-pyridin-4-ylethyl)piperazine-2,5-dione
CID 64964160
3-cyclopropyl-1-[(2-fluorophenyl)methyl]-3-methylpiperazine-2,5-dione
CID 64880374
3-cyclopropyl-3-methyl-1-(2-methylsulfinylethyl)piperazine-2,5-dione
CID 113480612
3-cyclopropyl-3-methyl-1-(pyrimidin-2-ylmethyl)-1,4-diazepane-2,5-dione
CID 64883027
1-[(5-bromothiophen-2-yl)methyl]-3-cyclopropyl-3-methyl-1,4-diazepane-2,5-dione
CID 64883611
3-cyclopropyl-3-methyl-1-(thiolan-3-ylmethyl)piperazine-2,5-dione
CID 107298540
3-cyclopropyl-1-(3-imidazol-1-ylpropyl)-3-methylpiperazine-2,5-dione
CID 64880578
3-cyclopropyl-1-(3,5-dimethylphenyl)-3-methylpiperazine-2,5-dione
CID 64958945
3-cyclopropyl-3-methyl-1-(2-propoxyethyl)piperazine-2,5-dione
CID 106459136
5-[(3-cyclopropyl-3-methylpiperazin-1-yl)methyl]-2-methyl-1,3-thiazole
CID 64925154

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazine-2,5-dione?
The IUPAC name of 3-cyclopropyl-3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazine-2,5-dione (CID 64965764) is 3-cyclopropyl-3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazine-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazine-2,5-dione?
The canonical SMILES for 3-cyclopropyl-3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazine-2,5-dione is Cc1ncc(CN2CC(=O)NC(C)(C3CC3)C2=O)s1.
What is the InChIKey of 3-cyclopropyl-3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazine-2,5-dione?
The InChIKey is CKDCNOFWQDYKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-8-14-5-10(19-8)6-16-7-11(17)15-13(2,12(16)18)9-3-4-9/h5,9H,3-4,6-7H2,1-2H3,(H,15,17).
What are the key properties of 3-cyclopropyl-3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazine-2,5-dione?
3-cyclopropyl-3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazine-2,5-dione has a molecular weight of 279.36 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazine-2,5-dione is sourced from PubChem (CID 64965764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).