2-[4-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperazin-1-yl]acetic acid

C12H19N3O2S — CID 55035013

IUPAC2-[4-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperazin-1-yl]acetic acid
SMILESCc1ncsc1CCN1CCN(CC(=O)O)CC1
InChIInChI=1S/C12H19N3O2S/c1-10-11(18-9-13-10)2-3-14-4-6-15(7-5-14)8-12(16)17/h9H,2-8H2,1H3,(H,16,17)
InChIKeyJTZLVHDSNJMVQH-UHFFFAOYSA-N
MW269.37 g/mol
LogP0.70
Rot. Bonds5

About 2-[4-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperazin-1-yl]acetic acid

2-[4-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperazin-1-yl]acetic acid (PubChem CID 55035013) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-[4-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperazin-1-yl]acetic acid
PubChem CID55035013
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name2-[4-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperazin-1-yl]acetic acid
SMILESCc1ncsc1CCN1CCN(CC(=O)O)CC1
InChIInChI=1S/C12H19N3O2S/c1-10-11(18-9-13-10)2-3-14-4-6-15(7-5-14)8-12(16)17/h9H,2-8H2,1H3,(H,16,17)
InChIKeyJTZLVHDSNJMVQH-UHFFFAOYSA-N
XLogP0.70
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperazin-1-yl]acetic acid (CID 55035013) is 2-[4-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperazin-1-yl]acetic acid is Cc1ncsc1CCN1CCN(CC(=O)O)CC1.
What is the InChIKey of 2-[4-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperazin-1-yl]acetic acid?
The InChIKey is JTZLVHDSNJMVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-10-11(18-9-13-10)2-3-14-4-6-15(7-5-14)8-12(16)17/h9H,2-8H2,1H3,(H,16,17).
What are the key properties of 2-[4-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperazin-1-yl]acetic acid?
2-[4-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperazin-1-yl]acetic acid has a molecular weight of 269.37 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperazin-1-yl]acetic acid is sourced from PubChem (CID 55035013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).