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

C9H13N3O2S — CID 22831866

IUPACmethyl 2-piperazin-1-yl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(N2CCNCC2)s1
InChIInChI=1S/C9H13N3O2S/c1-14-8(13)7-6-11-9(15-7)12-4-2-10-3-5-12/h6,10H,2-5H2,1H3
InChIKeyNWHPWSRLTNLURY-UHFFFAOYSA-N
MW227.29 g/mol
LogP0.34
Rot. Bonds2

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

methyl 2-piperazin-1-yl-1,3-thiazole-5-carboxylate (PubChem CID 22831866) has the molecular formula C9H13N3O2S and a molecular weight of 227.29 g/mol. Its IUPAC name is methyl 2-piperazin-1-yl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-piperazin-1-yl-1,3-thiazole-5-carboxylate
PubChem CID22831866
Molecular FormulaC9H13N3O2S
Molecular Weight227.29 g/mol
Exact Mass227.07
IUPAC Namemethyl 2-piperazin-1-yl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(N2CCNCC2)s1
InChIInChI=1S/C9H13N3O2S/c1-14-8(13)7-6-11-9(15-7)12-4-2-10-3-5-12/h6,10H,2-5H2,1H3
InChIKeyNWHPWSRLTNLURY-UHFFFAOYSA-N
XLogP0.34
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Methyl 2-aminothiazole-5-carboxylate
CID 238005
Methyl 2-(methylamino)-1,3-thiazole-5-carboxylate
CID 71668451
2-Amino-thiazole-5-carboxylic acid ethyl ester
CID 314628
Ethyl 2-{[(dimethylamino)methylene]amino}-1,3-thiazole-5-carboxylate
CID 9607486
Ethyl 2-morpholinothiazole-5-carboxylate
CID 11053825
Ethyl 2-(piperazin-1-yl)-1,3-thiazole-5-carboxylate
CID 54595879
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-[4-(3-sulfanylpropanoyl)piperazin-1-yl]-1,3-thiazole-5-carboxylate
CID 177680955
Ethyl 2-(tert-butylamino)-1,3-thiazole-5-carboxylate
CID 15503788
Methyl 2-((tert-butoxycarbonyl)amino)thiazole-5-carboxylate
CID 45117879
methyl 2-[(E)-dimethylaminomethylideneamino]-1,3-thiazole-5-carboxylate
CID 59362091

Frequently Asked Questions

What is the IUPAC name of methyl 2-piperazin-1-yl-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-piperazin-1-yl-1,3-thiazole-5-carboxylate (CID 22831866) is methyl 2-piperazin-1-yl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-piperazin-1-yl-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-piperazin-1-yl-1,3-thiazole-5-carboxylate is COC(=O)c1cnc(N2CCNCC2)s1.
What is the InChIKey of methyl 2-piperazin-1-yl-1,3-thiazole-5-carboxylate?
The InChIKey is NWHPWSRLTNLURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2S/c1-14-8(13)7-6-11-9(15-7)12-4-2-10-3-5-12/h6,10H,2-5H2,1H3.
What are the key properties of methyl 2-piperazin-1-yl-1,3-thiazole-5-carboxylate?
methyl 2-piperazin-1-yl-1,3-thiazole-5-carboxylate has a molecular weight of 227.29 g/mol, XLogP of 0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-piperazin-1-yl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 22831866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).