2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]acetic acid

C6H8N2O3S — CID 106380875

IUPAC2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]acetic acid
SMILESO=C(O)CNCc1csc(=O)[nH]1
InChIInChI=1S/C6H8N2O3S/c9-5(10)2-7-1-4-3-12-6(11)8-4/h3,7H,1-2H2,(H,8,11)(H,9,10)
InChIKeyOEYQWZRGJQBIKW-UHFFFAOYSA-N
MW188.21 g/mol
LogP-0.39
Rot. Bonds4

About 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]acetic acid

2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]acetic acid (PubChem CID 106380875) has the molecular formula C6H8N2O3S and a molecular weight of 188.21 g/mol. Its IUPAC name is 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]acetic acid
PubChem CID106380875
Molecular FormulaC6H8N2O3S
Molecular Weight188.21 g/mol
Exact Mass188.03
IUPAC Name2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]acetic acid
SMILESO=C(O)CNCc1csc(=O)[nH]1
InChIInChI=1S/C6H8N2O3S/c9-5(10)2-7-1-4-3-12-6(11)8-4/h3,7H,1-2H2,(H,8,11)(H,9,10)
InChIKeyOEYQWZRGJQBIKW-UHFFFAOYSA-N
XLogP-0.39
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.21
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]acetic acid?
The IUPAC name of 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]acetic acid (CID 106380875) is 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]acetic acid.
What is the SMILES notation for 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]acetic acid?
The canonical SMILES for 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]acetic acid is O=C(O)CNCc1csc(=O)[nH]1.
What is the InChIKey of 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]acetic acid?
The InChIKey is OEYQWZRGJQBIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3S/c9-5(10)2-7-1-4-3-12-6(11)8-4/h3,7H,1-2H2,(H,8,11)(H,9,10).
What are the key properties of 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]acetic acid?
2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]acetic acid has a molecular weight of 188.21 g/mol, XLogP of -0.39, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]acetic acid is sourced from PubChem (CID 106380875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).