2-[ethyl(1,3-thiazol-2-ylmethyl)amino]acetic acid

C8H12N2O2S — CID 70895285

IUPAC2-[ethyl(1,3-thiazol-2-ylmethyl)amino]acetic acid
SMILESCCN(CC(=O)O)Cc1nccs1
InChIInChI=1S/C8H12N2O2S/c1-2-10(6-8(11)12)5-7-9-3-4-13-7/h3-4H,2,5-6H2,1H3,(H,11,12)
InChIKeyVRHSUHHXGWZZBR-UHFFFAOYSA-N
MW200.26 g/mol
LogP1.05
Rot. Bonds5

About 2-[ethyl(1,3-thiazol-2-ylmethyl)amino]acetic acid

2-[ethyl(1,3-thiazol-2-ylmethyl)amino]acetic acid (PubChem CID 70895285) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is 2-[ethyl(1,3-thiazol-2-ylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl(1,3-thiazol-2-ylmethyl)amino]acetic acid
PubChem CID70895285
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Name2-[ethyl(1,3-thiazol-2-ylmethyl)amino]acetic acid
SMILESCCN(CC(=O)O)Cc1nccs1
InChIInChI=1S/C8H12N2O2S/c1-2-10(6-8(11)12)5-7-9-3-4-13-7/h3-4H,2,5-6H2,1H3,(H,11,12)
InChIKeyVRHSUHHXGWZZBR-UHFFFAOYSA-N
XLogP1.05
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(1,3-thiazol-2-ylmethyl)amino]acetic acid?
The IUPAC name of 2-[ethyl(1,3-thiazol-2-ylmethyl)amino]acetic acid (CID 70895285) is 2-[ethyl(1,3-thiazol-2-ylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[ethyl(1,3-thiazol-2-ylmethyl)amino]acetic acid?
The canonical SMILES for 2-[ethyl(1,3-thiazol-2-ylmethyl)amino]acetic acid is CCN(CC(=O)O)Cc1nccs1.
What is the InChIKey of 2-[ethyl(1,3-thiazol-2-ylmethyl)amino]acetic acid?
The InChIKey is VRHSUHHXGWZZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-2-10(6-8(11)12)5-7-9-3-4-13-7/h3-4H,2,5-6H2,1H3,(H,11,12).
What are the key properties of 2-[ethyl(1,3-thiazol-2-ylmethyl)amino]acetic acid?
2-[ethyl(1,3-thiazol-2-ylmethyl)amino]acetic acid has a molecular weight of 200.26 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(1,3-thiazol-2-ylmethyl)amino]acetic acid is sourced from PubChem (CID 70895285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).