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

C14H23N3O2S — CID 116526878

IUPACethyl 5-methyl-2-(3,3,4-trimethylpiperazin-1-yl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(N2CCN(C)C(C)(C)C2)sc1C
InChIInChI=1S/C14H23N3O2S/c1-6-19-12(18)11-10(2)20-13(15-11)17-8-7-16(5)14(3,4)9-17/h6-9H2,1-5H3
InChIKeyHCAMQALNAGEMMS-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.16
Rot. Bonds3

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

ethyl 5-methyl-2-(3,3,4-trimethylpiperazin-1-yl)-1,3-thiazole-4-carboxylate (PubChem CID 116526878) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is ethyl 5-methyl-2-(3,3,4-trimethylpiperazin-1-yl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-2-(3,3,4-trimethylpiperazin-1-yl)-1,3-thiazole-4-carboxylate
PubChem CID116526878
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Nameethyl 5-methyl-2-(3,3,4-trimethylpiperazin-1-yl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(N2CCN(C)C(C)(C)C2)sc1C
InChIInChI=1S/C14H23N3O2S/c1-6-19-12(18)11-10(2)20-13(15-11)17-8-7-16(5)14(3,4)9-17/h6-9H2,1-5H3
InChIKeyHCAMQALNAGEMMS-UHFFFAOYSA-N
XLogP2.16
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 5-methyl-2-(3,3,4-trimethylpiperazin-1-yl)-1,3-thiazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 5-methyl-2-(4-propylpiperazin-1-yl)-1,3-thiazole-4-carboxylate
CID 116526449
ethyl 2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-5-methyl-1,3-thiazole-4-carboxylate
CID 107226706
ethyl 2-(4-butan-2-ylpiperazin-1-yl)-5-methyl-1,3-thiazole-4-carboxylate
CID 116526809
methyl 5-acetyl-2-(3,3,4-trimethylpiperazin-1-yl)-1,3-thiazole-4-carboxylate
CID 106697647
ethyl 3-amino-5-(3,3,4-trimethylpiperazin-1-yl)-1,2-thiazole-4-carboxylate
CID 103381876
methyl 4-chloro-2-(3,3,4-trimethylpiperazin-1-yl)-1,3-thiazole-5-carboxylate
CID 63615066
ethyl 5-methyl-2-(3-propoxypiperidin-1-yl)-1,3-thiazole-4-carboxylate
CID 116526769
1-(4-methoxycarbonyl-5-methyl-1,3-thiazol-2-yl)-3-methylpyrrolidine-3-carboxylic acid
CID 122052571
ethyl 5-chloro-2-piperidin-1-yl-1,3-thiazole-4-carboxylate
CID 97035612
ethyl 5-methyl-2-(2-methyl-3-oxopiperazin-1-yl)-1,3-thiazole-4-carboxylate
CID 116526883
methyl 2-(3-ethyl-4-methylpiperazin-1-yl)-5-methyl-1,3-thiazole-4-carboxylate
CID 115424528
ethyl 5-acetyl-2-(4-methyl-3-oxopiperazin-1-yl)-1,3-thiazole-4-carboxylate
CID 107377958

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-2-(3,3,4-trimethylpiperazin-1-yl)-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 5-methyl-2-(3,3,4-trimethylpiperazin-1-yl)-1,3-thiazole-4-carboxylate (CID 116526878) is ethyl 5-methyl-2-(3,3,4-trimethylpiperazin-1-yl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-methyl-2-(3,3,4-trimethylpiperazin-1-yl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 5-methyl-2-(3,3,4-trimethylpiperazin-1-yl)-1,3-thiazole-4-carboxylate is CCOC(=O)c1nc(N2CCN(C)C(C)(C)C2)sc1C.
What is the InChIKey of ethyl 5-methyl-2-(3,3,4-trimethylpiperazin-1-yl)-1,3-thiazole-4-carboxylate?
The InChIKey is HCAMQALNAGEMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-6-19-12(18)11-10(2)20-13(15-11)17-8-7-16(5)14(3,4)9-17/h6-9H2,1-5H3.
What are the key properties of ethyl 5-methyl-2-(3,3,4-trimethylpiperazin-1-yl)-1,3-thiazole-4-carboxylate?
ethyl 5-methyl-2-(3,3,4-trimethylpiperazin-1-yl)-1,3-thiazole-4-carboxylate has a molecular weight of 297.42 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-2-(3,3,4-trimethylpiperazin-1-yl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 116526878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).