3-methyl-1-(1,3-thiazol-2-ylmethyl)piperazine-2,5-dione

C9H11N3O2S — CID 64966359

IUPAC3-methyl-1-(1,3-thiazol-2-ylmethyl)piperazine-2,5-dione
SMILESCC1NC(=O)CN(Cc2nccs2)C1=O
InChIInChI=1S/C9H11N3O2S/c1-6-9(14)12(4-7(13)11-6)5-8-10-2-3-15-8/h2-3,6H,4-5H2,1H3,(H,11,13)
InChIKeyMSUWECNDODHXJU-UHFFFAOYSA-N
MW225.27 g/mol
LogP-0.01
Rot. Bonds2

About 3-methyl-1-(1,3-thiazol-2-ylmethyl)piperazine-2,5-dione

3-methyl-1-(1,3-thiazol-2-ylmethyl)piperazine-2,5-dione (PubChem CID 64966359) has the molecular formula C9H11N3O2S and a molecular weight of 225.27 g/mol. Its IUPAC name is 3-methyl-1-(1,3-thiazol-2-ylmethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-(1,3-thiazol-2-ylmethyl)piperazine-2,5-dione
PubChem CID64966359
Molecular FormulaC9H11N3O2S
Molecular Weight225.27 g/mol
Exact Mass225.06
IUPAC Name3-methyl-1-(1,3-thiazol-2-ylmethyl)piperazine-2,5-dione
SMILESCC1NC(=O)CN(Cc2nccs2)C1=O
InChIInChI=1S/C9H11N3O2S/c1-6-9(14)12(4-7(13)11-6)5-8-10-2-3-15-8/h2-3,6H,4-5H2,1H3,(H,11,13)
InChIKeyMSUWECNDODHXJU-UHFFFAOYSA-N
XLogP-0.01
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-phenyl-1-(1,3-thiazol-2-ylmethyl)piperazine-2,5-dione
CID 64965734
3-propyl-1-(1,3-thiazol-2-ylmethyl)-1,4-diazepane-2,5-dione
CID 64965898
3-methyl-3-phenyl-1-(1,3-thiazol-2-ylmethyl)piperazine-2,5-dione
CID 64965769
3-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-2,5-dione
CID 64966457
3-butan-2-yl-1-[2-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione
CID 64970385
3-phenyl-1-(1,3-thiazol-2-ylmethyl)-1,4-diazepane-2,5-dione
CID 64965757
3-phenyl-1-[2-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione
CID 64970395
1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-propan-2-ylpiperazine-2,5-dione
CID 64966344
3-cyclopropyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazine-2,5-dione
CID 64966356
3-methyl-1-[(5-methylthiophen-2-yl)methyl]piperazine-2,5-dione
CID 64968470
1-[(5-bromo-3-pyridinyl)methyl]-3-methylpiperazine-2,5-dione
CID 113456029
1-[(2,6-dichlorophenyl)methyl]-3-methylpiperazine-2,5-dione
CID 64881311

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1,3-thiazol-2-ylmethyl)piperazine-2,5-dione?
The IUPAC name of 3-methyl-1-(1,3-thiazol-2-ylmethyl)piperazine-2,5-dione (CID 64966359) is 3-methyl-1-(1,3-thiazol-2-ylmethyl)piperazine-2,5-dione.
What is the SMILES notation for 3-methyl-1-(1,3-thiazol-2-ylmethyl)piperazine-2,5-dione?
The canonical SMILES for 3-methyl-1-(1,3-thiazol-2-ylmethyl)piperazine-2,5-dione is CC1NC(=O)CN(Cc2nccs2)C1=O.
What is the InChIKey of 3-methyl-1-(1,3-thiazol-2-ylmethyl)piperazine-2,5-dione?
The InChIKey is MSUWECNDODHXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2S/c1-6-9(14)12(4-7(13)11-6)5-8-10-2-3-15-8/h2-3,6H,4-5H2,1H3,(H,11,13).
What are the key properties of 3-methyl-1-(1,3-thiazol-2-ylmethyl)piperazine-2,5-dione?
3-methyl-1-(1,3-thiazol-2-ylmethyl)piperazine-2,5-dione has a molecular weight of 225.27 g/mol, XLogP of -0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1,3-thiazol-2-ylmethyl)piperazine-2,5-dione is sourced from PubChem (CID 64966359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).