(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetic acid

C6H7N3O3S — CID 5486924

IUPAC(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetic acid
SMILESCO/N=C(\C(=O)O)c1csc(N)n1
InChIInChI=1S/C6H7N3O3S/c1-12-9-4(5(10)11)3-2-13-6(7)8-3/h2H,1H3,(H2,7,8)(H,10,11)/b9-4-
InChIKeyNLARCUDOUOQRPB-WTKPLQERSA-N
MW201.21 g/mol
LogP0.16
Rot. Bonds3

About (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetic acid

(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetic acid (PubChem CID 5486924) has the molecular formula C6H7N3O3S and a molecular weight of 201.21 g/mol. Its IUPAC name is (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetic acid.

Molecular Properties

Compound Name(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetic acid
PubChem CID5486924
Molecular FormulaC6H7N3O3S
Molecular Weight201.21 g/mol
Exact Mass201.02
IUPAC Name(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetic acid
SMILESCO/N=C(\C(=O)O)c1csc(N)n1
InChIInChI=1S/C6H7N3O3S/c1-12-9-4(5(10)11)3-2-13-6(7)8-3/h2H,1H3,(H2,7,8)(H,10,11)/b9-4-
InChIKeyNLARCUDOUOQRPB-WTKPLQERSA-N
XLogP0.16
TPSA97.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.21
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetic acid?
The IUPAC name of (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetic acid (CID 5486924) is (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetic acid.
What is the SMILES notation for (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetic acid?
The canonical SMILES for (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetic acid is CO/N=C(\C(=O)O)c1csc(N)n1.
What is the InChIKey of (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetic acid?
The InChIKey is NLARCUDOUOQRPB-WTKPLQERSA-N. The full InChI is InChI=1S/C6H7N3O3S/c1-12-9-4(5(10)11)3-2-13-6(7)8-3/h2H,1H3,(H2,7,8)(H,10,11)/b9-4-.
What are the key properties of (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetic acid?
(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetic acid has a molecular weight of 201.21 g/mol, XLogP of 0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetic acid is sourced from PubChem (CID 5486924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).