ethyl 2-piperazin-1-yl-1,3-thiazole-5-carboxylate

C10H15N3O2S — CID 54595879

IUPACethyl 2-piperazin-1-yl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1cnc(N2CCNCC2)s1
InChIInChI=1S/C10H15N3O2S/c1-2-15-9(14)8-7-12-10(16-8)13-5-3-11-4-6-13/h7,11H,2-6H2,1H3
InChIKeyXOTUBRNKFXTMTR-UHFFFAOYSA-N
MW241.32 g/mol
LogP0.73
Rot. Bonds3

About ethyl 2-piperazin-1-yl-1,3-thiazole-5-carboxylate

ethyl 2-piperazin-1-yl-1,3-thiazole-5-carboxylate (PubChem CID 54595879) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is ethyl 2-piperazin-1-yl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-piperazin-1-yl-1,3-thiazole-5-carboxylate
PubChem CID54595879
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Nameethyl 2-piperazin-1-yl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1cnc(N2CCNCC2)s1
InChIInChI=1S/C10H15N3O2S/c1-2-15-9(14)8-7-12-10(16-8)13-5-3-11-4-6-13/h7,11H,2-6H2,1H3
InChIKeyXOTUBRNKFXTMTR-UHFFFAOYSA-N
XLogP0.73
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Methyl 2-aminothiazole-5-carboxylate
CID 238005
2-Amino-thiazole-5-carboxylic acid ethyl ester
CID 314628
Ethyl 2-{[(dimethylamino)methylene]amino}-1,3-thiazole-5-carboxylate
CID 9607486
2-(Morpholin-4-yl)-1,3-thiazole-5-carboxylic acid
CID 15475835
Methyl 2-(methylamino)-1,3-thiazole-5-carboxylate
CID 71668451
Ethyl 2-morpholinothiazole-5-carboxylate
CID 11053825
2-(4-Methylpiperazin-1-yl)-1,3-thiazole-5-carboxylic acid dihydrochloride
CID 54595164
Lithium 2-((2-methoxyethyl)amino)-1,3-thiazole-5-carboxylate
CID 138040570
Ethyl 2-(tert-butylamino)-1,3-thiazole-5-carboxylate
CID 15503788
methyl 2-[(E)-dimethylaminomethylideneamino]-1,3-thiazole-5-carboxylate
CID 59362091
Ethyl 2-{[(dimethylamino)methylidene]amino}-1,3-thiazole-5-carboxylate
CID 5093866
Ethyl 2-[methoxy(methyl)amino]-1,3-thiazole-5-carboxylate
CID 125420678

Frequently Asked Questions

What is the IUPAC name of ethyl 2-piperazin-1-yl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-piperazin-1-yl-1,3-thiazole-5-carboxylate (CID 54595879) is ethyl 2-piperazin-1-yl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-piperazin-1-yl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-piperazin-1-yl-1,3-thiazole-5-carboxylate is CCOC(=O)c1cnc(N2CCNCC2)s1.
What is the InChIKey of ethyl 2-piperazin-1-yl-1,3-thiazole-5-carboxylate?
The InChIKey is XOTUBRNKFXTMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-2-15-9(14)8-7-12-10(16-8)13-5-3-11-4-6-13/h7,11H,2-6H2,1H3.
What are the key properties of ethyl 2-piperazin-1-yl-1,3-thiazole-5-carboxylate?
ethyl 2-piperazin-1-yl-1,3-thiazole-5-carboxylate has a molecular weight of 241.32 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-piperazin-1-yl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 54595879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).