methyl 2-(4-methyl-1,3-thiazol-5-yl)-2-piperazin-1-ylacetate

C11H17N3O2S — CID 102766022

IUPACmethyl 2-(4-methyl-1,3-thiazol-5-yl)-2-piperazin-1-ylacetate
SMILESCOC(=O)C(c1scnc1C)N1CCNCC1
InChIInChI=1S/C11H17N3O2S/c1-8-10(17-7-13-8)9(11(15)16-2)14-5-3-12-4-6-14/h7,9,12H,3-6H2,1-2H3
InChIKeyIEOWFOBTWQGCAB-UHFFFAOYSA-N
MW255.34 g/mol
LogP0.57
Rot. Bonds3

About methyl 2-(4-methyl-1,3-thiazol-5-yl)-2-piperazin-1-ylacetate

methyl 2-(4-methyl-1,3-thiazol-5-yl)-2-piperazin-1-ylacetate (PubChem CID 102766022) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is methyl 2-(4-methyl-1,3-thiazol-5-yl)-2-piperazin-1-ylacetate.

Molecular Properties

Compound Namemethyl 2-(4-methyl-1,3-thiazol-5-yl)-2-piperazin-1-ylacetate
PubChem CID102766022
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Namemethyl 2-(4-methyl-1,3-thiazol-5-yl)-2-piperazin-1-ylacetate
SMILESCOC(=O)C(c1scnc1C)N1CCNCC1
InChIInChI=1S/C11H17N3O2S/c1-8-10(17-7-13-8)9(11(15)16-2)14-5-3-12-4-6-14/h7,9,12H,3-6H2,1-2H3
InChIKeyIEOWFOBTWQGCAB-UHFFFAOYSA-N
XLogP0.57
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-methyl-1,3-thiazol-5-yl)-2-piperazin-1-ylacetate?
The IUPAC name of methyl 2-(4-methyl-1,3-thiazol-5-yl)-2-piperazin-1-ylacetate (CID 102766022) is methyl 2-(4-methyl-1,3-thiazol-5-yl)-2-piperazin-1-ylacetate.
What is the SMILES notation for methyl 2-(4-methyl-1,3-thiazol-5-yl)-2-piperazin-1-ylacetate?
The canonical SMILES for methyl 2-(4-methyl-1,3-thiazol-5-yl)-2-piperazin-1-ylacetate is COC(=O)C(c1scnc1C)N1CCNCC1.
What is the InChIKey of methyl 2-(4-methyl-1,3-thiazol-5-yl)-2-piperazin-1-ylacetate?
The InChIKey is IEOWFOBTWQGCAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-8-10(17-7-13-8)9(11(15)16-2)14-5-3-12-4-6-14/h7,9,12H,3-6H2,1-2H3.
What are the key properties of methyl 2-(4-methyl-1,3-thiazol-5-yl)-2-piperazin-1-ylacetate?
methyl 2-(4-methyl-1,3-thiazol-5-yl)-2-piperazin-1-ylacetate has a molecular weight of 255.34 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-methyl-1,3-thiazol-5-yl)-2-piperazin-1-ylacetate is sourced from PubChem (CID 102766022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).