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

C12H17N3O2S — CID 64973260

IUPAC3,6-dimethyl-1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione
SMILESCc1csc(C(C)N2C(=O)C(C)NC(=O)C2C)n1
InChIInChI=1S/C12H17N3O2S/c1-6-5-18-11(13-6)9(4)15-8(3)10(16)14-7(2)12(15)17/h5,7-9H,1-4H3,(H,14,16)
InChIKeyXGRKEMWIQSQUKP-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.25
Rot. Bonds2

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

3,6-dimethyl-1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione (PubChem CID 64973260) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is 3,6-dimethyl-1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3,6-dimethyl-1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione
PubChem CID64973260
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC Name3,6-dimethyl-1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione
SMILESCc1csc(C(C)N2C(=O)C(C)NC(=O)C2C)n1
InChIInChI=1S/C12H17N3O2S/c1-6-5-18-11(13-6)9(4)15-8(3)10(16)14-7(2)12(15)17/h5,7-9H,1-4H3,(H,14,16)
InChIKeyXGRKEMWIQSQUKP-UHFFFAOYSA-N
XLogP1.25
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopropyl-6-methyl-1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione
CID 64973178
1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-propan-2-ylpiperazine-2,5-dione
CID 64973284
3-ethyl-1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione
CID 64973286
3-ethyl-1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,4-diazepane-2,5-dione
CID 64973273
1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,4-diazepane-2,5-dione
CID 64973322
2-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79929583
3,6-dimethyl-1-(1-thiophen-2-ylbutyl)piperazine-2,5-dione
CID 64966297
1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713179
3-methyl-1-[1-(5-methylfuran-2-yl)ethyl]-6-propan-2-ylpiperazine-2,5-dione
CID 64965003
4-methyl-1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-2-amine
CID 106574877
1-(4-methyl-1,3-thiazol-2-yl)ethanamine;hydrochloride
CID 73012335
4-methyl-2-pentan-2-yl-1,3-thiazole
CID 138644100

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione?
The IUPAC name of 3,6-dimethyl-1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione (CID 64973260) is 3,6-dimethyl-1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione.
What is the SMILES notation for 3,6-dimethyl-1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione?
The canonical SMILES for 3,6-dimethyl-1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione is Cc1csc(C(C)N2C(=O)C(C)NC(=O)C2C)n1.
What is the InChIKey of 3,6-dimethyl-1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione?
The InChIKey is XGRKEMWIQSQUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-6-5-18-11(13-6)9(4)15-8(3)10(16)14-7(2)12(15)17/h5,7-9H,1-4H3,(H,14,16).
What are the key properties of 3,6-dimethyl-1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione?
3,6-dimethyl-1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione has a molecular weight of 267.35 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione is sourced from PubChem (CID 64973260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).