3-cyclopropyl-6-methyl-1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione

C14H19N3O2S — CID 64973178

IUPAC3-cyclopropyl-6-methyl-1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione
SMILESCc1csc(C(C)N2C(=O)C(C3CC3)NC(=O)C2C)n1
InChIInChI=1S/C14H19N3O2S/c1-7-6-20-13(15-7)9(3)17-8(2)12(18)16-11(14(17)19)10-4-5-10/h6,8-11H,4-5H2,1-3H3,(H,16,18)
InChIKeyKMPKNFAPFSYJBH-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.64
Rot. Bonds3

About 3-cyclopropyl-6-methyl-1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione

3-cyclopropyl-6-methyl-1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione (PubChem CID 64973178) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 3-cyclopropyl-6-methyl-1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-6-methyl-1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione
PubChem CID64973178
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name3-cyclopropyl-6-methyl-1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione
SMILESCc1csc(C(C)N2C(=O)C(C3CC3)NC(=O)C2C)n1
InChIInChI=1S/C14H19N3O2S/c1-7-6-20-13(15-7)9(3)17-8(2)12(18)16-11(14(17)19)10-4-5-10/h6,8-11H,4-5H2,1-3H3,(H,16,18)
InChIKeyKMPKNFAPFSYJBH-UHFFFAOYSA-N
XLogP1.64
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,6-dimethyl-1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione
CID 64973260
3-cyclopropyl-6-methyl-1-propan-2-ylpiperazine-2,5-dione
CID 64885420
3-cyclopropyl-6-methyl-1-[1-(5-methylfuran-2-yl)ethyl]piperazine-2,5-dione
CID 64965627
3-ethyl-1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione
CID 64973286
1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-propan-2-ylpiperazine-2,5-dione
CID 64973284
3-cyclopropyl-1-[1-(2-fluorophenyl)ethyl]-6-methylpiperazine-2,5-dione
CID 64966030
3-ethyl-1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,4-diazepane-2,5-dione
CID 64973273
3-cyclohexyl-6-methyl-1-propan-2-ylpiperazine-2,5-dione
CID 64887376
3-cyclopropyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazine-2,5-dione
CID 64966356
3-cyclopropyl-1-hexan-2-yl-6-methylpiperazine-2,5-dione
CID 64969099
1-but-3-yn-2-yl-3-cyclohexyl-6-methylpiperazine-2,5-dione
CID 114420569
1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,4-diazepane-2,5-dione
CID 64973322

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-methyl-1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione?
The IUPAC name of 3-cyclopropyl-6-methyl-1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione (CID 64973178) is 3-cyclopropyl-6-methyl-1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-6-methyl-1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione?
The canonical SMILES for 3-cyclopropyl-6-methyl-1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione is Cc1csc(C(C)N2C(=O)C(C3CC3)NC(=O)C2C)n1.
What is the InChIKey of 3-cyclopropyl-6-methyl-1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione?
The InChIKey is KMPKNFAPFSYJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-7-6-20-13(15-7)9(3)17-8(2)12(18)16-11(14(17)19)10-4-5-10/h6,8-11H,4-5H2,1-3H3,(H,16,18).
What are the key properties of 3-cyclopropyl-6-methyl-1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione?
3-cyclopropyl-6-methyl-1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione has a molecular weight of 293.39 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-methyl-1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione is sourced from PubChem (CID 64973178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).