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

C10H14ClN3O2S — CID 107124353

IUPACmethyl 2-(5-chloro-1,3-thiazol-2-yl)-2-piperazin-1-ylacetate
SMILESCOC(=O)C(c1ncc(Cl)s1)N1CCNCC1
InChIInChI=1S/C10H14ClN3O2S/c1-16-10(15)8(9-13-6-7(11)17-9)14-4-2-12-3-5-14/h6,8,12H,2-5H2,1H3
InChIKeyLJTYTSJMFXRNBF-UHFFFAOYSA-N
MW275.76 g/mol
LogP0.92
Rot. Bonds3

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

methyl 2-(5-chloro-1,3-thiazol-2-yl)-2-piperazin-1-ylacetate (PubChem CID 107124353) has the molecular formula C10H14ClN3O2S and a molecular weight of 275.76 g/mol. Its IUPAC name is methyl 2-(5-chloro-1,3-thiazol-2-yl)-2-piperazin-1-ylacetate.

Molecular Properties

Compound Namemethyl 2-(5-chloro-1,3-thiazol-2-yl)-2-piperazin-1-ylacetate
PubChem CID107124353
Molecular FormulaC10H14ClN3O2S
Molecular Weight275.76 g/mol
Exact Mass275.05
IUPAC Namemethyl 2-(5-chloro-1,3-thiazol-2-yl)-2-piperazin-1-ylacetate
SMILESCOC(=O)C(c1ncc(Cl)s1)N1CCNCC1
InChIInChI=1S/C10H14ClN3O2S/c1-16-10(15)8(9-13-6-7(11)17-9)14-4-2-12-3-5-14/h6,8,12H,2-5H2,1H3
InChIKeyLJTYTSJMFXRNBF-UHFFFAOYSA-N
XLogP0.92
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.76
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-(5-chloro-1,3-thiazol-2-yl)-2-piperazin-1-ylacetate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-chloro-1,3-thiazol-2-yl)-2-piperazin-1-ylacetate?
The IUPAC name of methyl 2-(5-chloro-1,3-thiazol-2-yl)-2-piperazin-1-ylacetate (CID 107124353) is methyl 2-(5-chloro-1,3-thiazol-2-yl)-2-piperazin-1-ylacetate.
What is the SMILES notation for methyl 2-(5-chloro-1,3-thiazol-2-yl)-2-piperazin-1-ylacetate?
The canonical SMILES for methyl 2-(5-chloro-1,3-thiazol-2-yl)-2-piperazin-1-ylacetate is COC(=O)C(c1ncc(Cl)s1)N1CCNCC1.
What is the InChIKey of methyl 2-(5-chloro-1,3-thiazol-2-yl)-2-piperazin-1-ylacetate?
The InChIKey is LJTYTSJMFXRNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O2S/c1-16-10(15)8(9-13-6-7(11)17-9)14-4-2-12-3-5-14/h6,8,12H,2-5H2,1H3.
What are the key properties of methyl 2-(5-chloro-1,3-thiazol-2-yl)-2-piperazin-1-ylacetate?
methyl 2-(5-chloro-1,3-thiazol-2-yl)-2-piperazin-1-ylacetate has a molecular weight of 275.76 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-chloro-1,3-thiazol-2-yl)-2-piperazin-1-ylacetate is sourced from PubChem (CID 107124353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).