2-[2-(methylamino)-1,3-thiazol-5-yl]acetic acid

C6H8N2O2S — CID 20699083

IUPAC2-[2-(methylamino)-1,3-thiazol-5-yl]acetic acid
SMILESCNc1ncc(CC(=O)O)s1
InChIInChI=1S/C6H8N2O2S/c1-7-6-8-3-4(11-6)2-5(9)10/h3H,2H2,1H3,(H,7,8)(H,9,10)
InChIKeySAPSLXMYKPYITB-UHFFFAOYSA-N
MW172.21 g/mol
LogP0.81
Rot. Bonds3

About 2-[2-(methylamino)-1,3-thiazol-5-yl]acetic acid

2-[2-(methylamino)-1,3-thiazol-5-yl]acetic acid (PubChem CID 20699083) has the molecular formula C6H8N2O2S and a molecular weight of 172.21 g/mol. Its IUPAC name is 2-[2-(methylamino)-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(methylamino)-1,3-thiazol-5-yl]acetic acid
PubChem CID20699083
Molecular FormulaC6H8N2O2S
Molecular Weight172.21 g/mol
Exact Mass172.03
IUPAC Name2-[2-(methylamino)-1,3-thiazol-5-yl]acetic acid
SMILESCNc1ncc(CC(=O)O)s1
InChIInChI=1S/C6H8N2O2S/c1-7-6-8-3-4(11-6)2-5(9)10/h3H,2H2,1H3,(H,7,8)(H,9,10)
InChIKeySAPSLXMYKPYITB-UHFFFAOYSA-N
XLogP0.81
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.21
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylamino)-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[2-(methylamino)-1,3-thiazol-5-yl]acetic acid (CID 20699083) is 2-[2-(methylamino)-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-(methylamino)-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-(methylamino)-1,3-thiazol-5-yl]acetic acid is CNc1ncc(CC(=O)O)s1.
What is the InChIKey of 2-[2-(methylamino)-1,3-thiazol-5-yl]acetic acid?
The InChIKey is SAPSLXMYKPYITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2S/c1-7-6-8-3-4(11-6)2-5(9)10/h3H,2H2,1H3,(H,7,8)(H,9,10).
What are the key properties of 2-[2-(methylamino)-1,3-thiazol-5-yl]acetic acid?
2-[2-(methylamino)-1,3-thiazol-5-yl]acetic acid has a molecular weight of 172.21 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylamino)-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 20699083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).