2-[methyl(1,3-thiazol-2-yl)amino]acetic acid

C6H8N2O2S — CID 16781373

IUPAC2-[methyl(1,3-thiazol-2-yl)amino]acetic acid
SMILESCN(CC(=O)O)c1nccs1
InChIInChI=1S/C6H8N2O2S/c1-8(4-5(9)10)6-7-2-3-11-6/h2-3H,4H2,1H3,(H,9,10)
InChIKeyJTCFWBIZFAODKM-UHFFFAOYSA-N
MW172.21 g/mol
LogP0.66
Rot. Bonds3

About 2-[methyl(1,3-thiazol-2-yl)amino]acetic acid

2-[methyl(1,3-thiazol-2-yl)amino]acetic acid (PubChem CID 16781373) has the molecular formula C6H8N2O2S and a molecular weight of 172.21 g/mol. Its IUPAC name is 2-[methyl(1,3-thiazol-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[methyl(1,3-thiazol-2-yl)amino]acetic acid
PubChem CID16781373
Molecular FormulaC6H8N2O2S
Molecular Weight172.21 g/mol
Exact Mass172.03
IUPAC Name2-[methyl(1,3-thiazol-2-yl)amino]acetic acid
SMILESCN(CC(=O)O)c1nccs1
InChIInChI=1S/C6H8N2O2S/c1-8(4-5(9)10)6-7-2-3-11-6/h2-3H,4H2,1H3,(H,9,10)
InChIKeyJTCFWBIZFAODKM-UHFFFAOYSA-N
XLogP0.66
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.21
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(1,3-thiazol-2-yl)amino]acetic acid?
The IUPAC name of 2-[methyl(1,3-thiazol-2-yl)amino]acetic acid (CID 16781373) is 2-[methyl(1,3-thiazol-2-yl)amino]acetic acid.
What is the SMILES notation for 2-[methyl(1,3-thiazol-2-yl)amino]acetic acid?
The canonical SMILES for 2-[methyl(1,3-thiazol-2-yl)amino]acetic acid is CN(CC(=O)O)c1nccs1.
What is the InChIKey of 2-[methyl(1,3-thiazol-2-yl)amino]acetic acid?
The InChIKey is JTCFWBIZFAODKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2S/c1-8(4-5(9)10)6-7-2-3-11-6/h2-3H,4H2,1H3,(H,9,10).
What are the key properties of 2-[methyl(1,3-thiazol-2-yl)amino]acetic acid?
2-[methyl(1,3-thiazol-2-yl)amino]acetic acid has a molecular weight of 172.21 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(1,3-thiazol-2-yl)amino]acetic acid is sourced from PubChem (CID 16781373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).