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

C10H13N3O2S — CID 64966457

IUPAC3-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-2,5-dione
SMILESCc1nc(CN2CC(=O)NC(C)C2=O)cs1
InChIInChI=1S/C10H13N3O2S/c1-6-10(15)13(4-9(14)11-6)3-8-5-16-7(2)12-8/h5-6H,3-4H2,1-2H3,(H,11,14)
InChIKeyMMFJWDMGUMCBKN-UHFFFAOYSA-N
MW239.30 g/mol
LogP0.30
Rot. Bonds2

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

3-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-2,5-dione (PubChem CID 64966457) has the molecular formula C10H13N3O2S and a molecular weight of 239.30 g/mol. Its IUPAC name is 3-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-2,5-dione
PubChem CID64966457
Molecular FormulaC10H13N3O2S
Molecular Weight239.30 g/mol
Exact Mass239.07
IUPAC Name3-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-2,5-dione
SMILESCc1nc(CN2CC(=O)NC(C)C2=O)cs1
InChIInChI=1S/C10H13N3O2S/c1-6-10(15)13(4-9(14)11-6)3-8-5-16-7(2)12-8/h5-6H,3-4H2,1-2H3,(H,11,14)
InChIKeyMMFJWDMGUMCBKN-UHFFFAOYSA-N
XLogP0.30
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepane-2,5-dione
CID 64966350
3-tert-butyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione
CID 106045774
3-methyl-1-(1,3-thiazol-2-ylmethyl)piperazine-2,5-dione
CID 64966359
3-methyl-1-[(5-methylthiophen-2-yl)methyl]piperazine-2,5-dione
CID 64968470
1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione
CID 106045871
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methylpiperazine-2,5-dione
CID 106377205
3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79932817
3-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4-dione
CID 103601183
1-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 64966326
1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-propan-2-ylpiperazine-2,5-dione
CID 64966344
(4R)-4-(2-methylpropyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-one
CID 97273176
4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-2,6-dione
CID 106045753

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-2,5-dione?
The IUPAC name of 3-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-2,5-dione (CID 64966457) is 3-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-2,5-dione.
What is the SMILES notation for 3-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-2,5-dione?
The canonical SMILES for 3-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-2,5-dione is Cc1nc(CN2CC(=O)NC(C)C2=O)cs1.
What is the InChIKey of 3-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-2,5-dione?
The InChIKey is MMFJWDMGUMCBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S/c1-6-10(15)13(4-9(14)11-6)3-8-5-16-7(2)12-8/h5-6H,3-4H2,1-2H3,(H,11,14).
What are the key properties of 3-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-2,5-dione?
3-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-2,5-dione has a molecular weight of 239.30 g/mol, XLogP of 0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-2,5-dione is sourced from PubChem (CID 64966457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).