2-[(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methylideneamino]oxyacetic acid

C11H15N3O4S — CID 77013189

IUPAC2-[(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methylideneamino]oxyacetic acid
SMILESCc1nc(N2CCOCC2)sc1C=NOCC(=O)O
InChIInChI=1S/C11H15N3O4S/c1-8-9(6-12-18-7-10(15)16)19-11(13-8)14-2-4-17-5-3-14/h6H,2-5,7H2,1H3,(H,15,16)
InChIKeyCOXWECCAOUMTKT-UHFFFAOYSA-N
MW285.32 g/mol
LogP0.72
Rot. Bonds5

About 2-[(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methylideneamino]oxyacetic acid

2-[(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methylideneamino]oxyacetic acid (PubChem CID 77013189) has the molecular formula C11H15N3O4S and a molecular weight of 285.32 g/mol. Its IUPAC name is 2-[(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methylideneamino]oxyacetic acid.

Molecular Properties

Compound Name2-[(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methylideneamino]oxyacetic acid
PubChem CID77013189
Molecular FormulaC11H15N3O4S
Molecular Weight285.32 g/mol
Exact Mass285.08
IUPAC Name2-[(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methylideneamino]oxyacetic acid
SMILESCc1nc(N2CCOCC2)sc1C=NOCC(=O)O
InChIInChI=1S/C11H15N3O4S/c1-8-9(6-12-18-7-10(15)16)19-11(13-8)14-2-4-17-5-3-14/h6H,2-5,7H2,1H3,(H,15,16)
InChIKeyCOXWECCAOUMTKT-UHFFFAOYSA-N
XLogP0.72
TPSA84.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 2-[(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methylideneamino]oxyacetic acid?
The IUPAC name of 2-[(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methylideneamino]oxyacetic acid (CID 77013189) is 2-[(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methylideneamino]oxyacetic acid.
What is the SMILES notation for 2-[(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methylideneamino]oxyacetic acid?
The canonical SMILES for 2-[(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methylideneamino]oxyacetic acid is Cc1nc(N2CCOCC2)sc1C=NOCC(=O)O.
What is the InChIKey of 2-[(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methylideneamino]oxyacetic acid?
The InChIKey is COXWECCAOUMTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4S/c1-8-9(6-12-18-7-10(15)16)19-11(13-8)14-2-4-17-5-3-14/h6H,2-5,7H2,1H3,(H,15,16).
What are the key properties of 2-[(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methylideneamino]oxyacetic acid?
2-[(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methylideneamino]oxyacetic acid has a molecular weight of 285.32 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methylideneamino]oxyacetic acid is sourced from PubChem (CID 77013189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).