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

C10H15N3O2S — CID 28880817

IUPACmethyl 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetate
SMILESCOC(=O)CN1CCN(c2nccs2)CC1
InChIInChI=1S/C10H15N3O2S/c1-15-9(14)8-12-3-5-13(6-4-12)10-11-2-7-16-10/h2,7H,3-6,8H2,1H3
InChIKeySKRDEVBPVBDTKR-UHFFFAOYSA-N
MW241.32 g/mol
LogP0.44
Rot. Bonds3

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

methyl 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetate (PubChem CID 28880817) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is methyl 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetate
PubChem CID28880817
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Namemethyl 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetate
SMILESCOC(=O)CN1CCN(c2nccs2)CC1
InChIInChI=1S/C10H15N3O2S/c1-15-9(14)8-12-3-5-13(6-4-12)10-11-2-7-16-10/h2,7H,3-6,8H2,1H3
InChIKeySKRDEVBPVBDTKR-UHFFFAOYSA-N
XLogP0.44
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetate?
The IUPAC name of methyl 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetate (CID 28880817) is methyl 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetate.
What is the SMILES notation for methyl 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetate?
The canonical SMILES for methyl 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetate is COC(=O)CN1CCN(c2nccs2)CC1.
What is the InChIKey of methyl 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetate?
The InChIKey is SKRDEVBPVBDTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-15-9(14)8-12-3-5-13(6-4-12)10-11-2-7-16-10/h2,7H,3-6,8H2,1H3.
What are the key properties of methyl 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetate?
methyl 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetate has a molecular weight of 241.32 g/mol, XLogP of 0.44, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetate is sourced from PubChem (CID 28880817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).