methyl 2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]acetate

C12H19N3O2S — CID 71854976

IUPACmethyl 2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]acetate
SMILESCOC(=O)CN1CCN(c2nc(C)c(C)s2)CC1
InChIInChI=1S/C12H19N3O2S/c1-9-10(2)18-12(13-9)15-6-4-14(5-7-15)8-11(16)17-3/h4-8H2,1-3H3
InChIKeyYHKQQXLCOGXZSR-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.05
Rot. Bonds3

About methyl 2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]acetate

methyl 2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]acetate (PubChem CID 71854976) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is methyl 2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]acetate
PubChem CID71854976
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Namemethyl 2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]acetate
SMILESCOC(=O)CN1CCN(c2nc(C)c(C)s2)CC1
InChIInChI=1S/C12H19N3O2S/c1-9-10(2)18-12(13-9)15-6-4-14(5-7-15)8-11(16)17-3/h4-8H2,1-3H3
InChIKeyYHKQQXLCOGXZSR-UHFFFAOYSA-N
XLogP1.05
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]acetate?
The IUPAC name of methyl 2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]acetate (CID 71854976) is methyl 2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]acetate.
What is the SMILES notation for methyl 2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]acetate?
The canonical SMILES for methyl 2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]acetate is COC(=O)CN1CCN(c2nc(C)c(C)s2)CC1.
What is the InChIKey of methyl 2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]acetate?
The InChIKey is YHKQQXLCOGXZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-9-10(2)18-12(13-9)15-6-4-14(5-7-15)8-11(16)17-3/h4-8H2,1-3H3.
What are the key properties of methyl 2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]acetate?
methyl 2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]acetate has a molecular weight of 269.37 g/mol, XLogP of 1.05, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]acetate is sourced from PubChem (CID 71854976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).