ethyl 5-methyl-2-(2-methyl-3-oxopiperazin-1-yl)-1,3-thiazole-4-carboxylate

C12H17N3O3S — CID 116526883

IUPACethyl 5-methyl-2-(2-methyl-3-oxopiperazin-1-yl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(N2CCNC(=O)C2C)sc1C
InChIInChI=1S/C12H17N3O3S/c1-4-18-11(17)9-8(3)19-12(14-9)15-6-5-13-10(16)7(15)2/h7H,4-6H2,1-3H3,(H,13,16)
InChIKeyPRCSXLOXGNXQHN-UHFFFAOYSA-N
MW283.35 g/mol
LogP0.95
Rot. Bonds3

About ethyl 5-methyl-2-(2-methyl-3-oxopiperazin-1-yl)-1,3-thiazole-4-carboxylate

ethyl 5-methyl-2-(2-methyl-3-oxopiperazin-1-yl)-1,3-thiazole-4-carboxylate (PubChem CID 116526883) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is ethyl 5-methyl-2-(2-methyl-3-oxopiperazin-1-yl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-2-(2-methyl-3-oxopiperazin-1-yl)-1,3-thiazole-4-carboxylate
PubChem CID116526883
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Nameethyl 5-methyl-2-(2-methyl-3-oxopiperazin-1-yl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(N2CCNC(=O)C2C)sc1C
InChIInChI=1S/C12H17N3O3S/c1-4-18-11(17)9-8(3)19-12(14-9)15-6-5-13-10(16)7(15)2/h7H,4-6H2,1-3H3,(H,13,16)
InChIKeyPRCSXLOXGNXQHN-UHFFFAOYSA-N
XLogP0.95
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-methyl-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,3-thiazole-4-carboxylate
CID 102887589
4-methyl-2-(2-methyl-3-oxopiperazin-1-yl)-1,3-thiazole-5-carboxylic acid
CID 80570135
ethyl 5-methyl-2-(4-propylpiperazin-1-yl)-1,3-thiazole-4-carboxylate
CID 116526449
ethyl 2-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-5-methyl-1,3-thiazole-4-carboxylate
CID 168507161
ethyl 2-amino-3-(2-methyl-3-oxopiperazin-1-yl)benzoate
CID 115546129
ethyl 2-(4-butan-2-ylpiperazin-1-yl)-5-methyl-1,3-thiazole-4-carboxylate
CID 116526809
ethyl 5-methyl-2-(piperazin-1-ylmethyl)-1,3-thiazole-4-carboxylate
CID 116527186
ethyl 5-methyl-2-(3,3,4-trimethylpiperazin-1-yl)-1,3-thiazole-4-carboxylate
CID 116526878
ethyl 5-methyl-2-(3-propoxypiperidin-1-yl)-1,3-thiazole-4-carboxylate
CID 116526769
ethyl 2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-5-methyl-1,3-thiazole-4-carboxylate
CID 107226706
ethyl 2-[cyclopropyl(methoxy)methyl]-5-methyl-1,3-thiazole-4-carboxylate
CID 116705209
ethyl 5-methyl-2-(2-piperazin-1-ylpropan-2-yl)-1,3-thiazole-4-carboxylate
CID 116527190

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-2-(2-methyl-3-oxopiperazin-1-yl)-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 5-methyl-2-(2-methyl-3-oxopiperazin-1-yl)-1,3-thiazole-4-carboxylate (CID 116526883) is ethyl 5-methyl-2-(2-methyl-3-oxopiperazin-1-yl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-methyl-2-(2-methyl-3-oxopiperazin-1-yl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 5-methyl-2-(2-methyl-3-oxopiperazin-1-yl)-1,3-thiazole-4-carboxylate is CCOC(=O)c1nc(N2CCNC(=O)C2C)sc1C.
What is the InChIKey of ethyl 5-methyl-2-(2-methyl-3-oxopiperazin-1-yl)-1,3-thiazole-4-carboxylate?
The InChIKey is PRCSXLOXGNXQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-4-18-11(17)9-8(3)19-12(14-9)15-6-5-13-10(16)7(15)2/h7H,4-6H2,1-3H3,(H,13,16).
What are the key properties of ethyl 5-methyl-2-(2-methyl-3-oxopiperazin-1-yl)-1,3-thiazole-4-carboxylate?
ethyl 5-methyl-2-(2-methyl-3-oxopiperazin-1-yl)-1,3-thiazole-4-carboxylate has a molecular weight of 283.35 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-2-(2-methyl-3-oxopiperazin-1-yl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 116526883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).