2-imino-2-(1,3-thiazol-2-yloxy)acetic acid

C5H4N2O3S — CID 70530470

IUPAC2-imino-2-(1,3-thiazol-2-yloxy)acetic acid
SMILES[H]/N=C(/Oc1nccs1)C(=O)O
InChIInChI=1S/C5H4N2O3S/c6-3(4(8)9)10-5-7-1-2-11-5/h1-2,6H,(H,8,9)/b6-3+
InChIKeyBCEJFLWCGJFESF-ZZXKWVIFSA-N
MW172.17 g/mol
LogP0.58
Rot. Bonds1

About 2-imino-2-(1,3-thiazol-2-yloxy)acetic acid

2-imino-2-(1,3-thiazol-2-yloxy)acetic acid (PubChem CID 70530470) has the molecular formula C5H4N2O3S and a molecular weight of 172.17 g/mol. Its IUPAC name is 2-imino-2-(1,3-thiazol-2-yloxy)acetic acid.

Molecular Properties

Compound Name2-imino-2-(1,3-thiazol-2-yloxy)acetic acid
PubChem CID70530470
Molecular FormulaC5H4N2O3S
Molecular Weight172.17 g/mol
Exact Mass171.99
IUPAC Name2-imino-2-(1,3-thiazol-2-yloxy)acetic acid
SMILES[H]/N=C(/Oc1nccs1)C(=O)O
InChIInChI=1S/C5H4N2O3S/c6-3(4(8)9)10-5-7-1-2-11-5/h1-2,6H,(H,8,9)/b6-3+
InChIKeyBCEJFLWCGJFESF-ZZXKWVIFSA-N
XLogP0.58
TPSA83.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.17
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-imino-2-(1,3-thiazol-2-yloxy)acetic acid?
The IUPAC name of 2-imino-2-(1,3-thiazol-2-yloxy)acetic acid (CID 70530470) is 2-imino-2-(1,3-thiazol-2-yloxy)acetic acid.
What is the SMILES notation for 2-imino-2-(1,3-thiazol-2-yloxy)acetic acid?
The canonical SMILES for 2-imino-2-(1,3-thiazol-2-yloxy)acetic acid is [H]/N=C(/Oc1nccs1)C(=O)O.
What is the InChIKey of 2-imino-2-(1,3-thiazol-2-yloxy)acetic acid?
The InChIKey is BCEJFLWCGJFESF-ZZXKWVIFSA-N. The full InChI is InChI=1S/C5H4N2O3S/c6-3(4(8)9)10-5-7-1-2-11-5/h1-2,6H,(H,8,9)/b6-3+.
What are the key properties of 2-imino-2-(1,3-thiazol-2-yloxy)acetic acid?
2-imino-2-(1,3-thiazol-2-yloxy)acetic acid has a molecular weight of 172.17 g/mol, XLogP of 0.58, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-2-(1,3-thiazol-2-yloxy)acetic acid is sourced from PubChem (CID 70530470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).