2-aminoethanol;2-[[4-(3-methoxy-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid

C11H14N4O6S — CID 14814738

IUPAC2-aminoethanol;2-[[4-(3-methoxy-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid
SMILESCOc1cc(-c2csc(NC(=O)C(=O)O)n2)on1.NCCO
InChIInChI=1S/C9H7N3O5S.C2H7NO/c1-16-6-2-5(17-12-6)4-3-18-9(10-4)11-7(13)8(14)15;3-1-2-4/h2-3H,1H3,(H,14,15)(H,10,11,13);4H,1-3H2
InChIKeyMKOTZDHTBWNAHU-UHFFFAOYSA-N
MW330.32 g/mol
LogP-0.23
Rot. Bonds4

About 2-aminoethanol;2-[[4-(3-methoxy-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid

2-aminoethanol;2-[[4-(3-methoxy-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid (PubChem CID 14814738) has the molecular formula C11H14N4O6S and a molecular weight of 330.32 g/mol. Its IUPAC name is 2-aminoethanol;2-[[4-(3-methoxy-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid.

Molecular Properties

Compound Name2-aminoethanol;2-[[4-(3-methoxy-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid
PubChem CID14814738
Molecular FormulaC11H14N4O6S
Molecular Weight330.32 g/mol
Exact Mass330.06
IUPAC Name2-aminoethanol;2-[[4-(3-methoxy-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid
SMILESCOc1cc(-c2csc(NC(=O)C(=O)O)n2)on1.NCCO
InChIInChI=1S/C9H7N3O5S.C2H7NO/c1-16-6-2-5(17-12-6)4-3-18-9(10-4)11-7(13)8(14)15;3-1-2-4/h2-3H,1H3,(H,14,15)(H,10,11,13);4H,1-3H2
InChIKeyMKOTZDHTBWNAHU-UHFFFAOYSA-N
XLogP-0.23
TPSA160.80 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.32
LogP ≤ 5-0.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-aminoethanol;2-[[4-(3-methoxy-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid?
The IUPAC name of 2-aminoethanol;2-[[4-(3-methoxy-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid (CID 14814738) is 2-aminoethanol;2-[[4-(3-methoxy-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid.
What is the SMILES notation for 2-aminoethanol;2-[[4-(3-methoxy-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid?
The canonical SMILES for 2-aminoethanol;2-[[4-(3-methoxy-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid is COc1cc(-c2csc(NC(=O)C(=O)O)n2)on1.NCCO.
What is the InChIKey of 2-aminoethanol;2-[[4-(3-methoxy-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid?
The InChIKey is MKOTZDHTBWNAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O5S.C2H7NO/c1-16-6-2-5(17-12-6)4-3-18-9(10-4)11-7(13)8(14)15;3-1-2-4/h2-3H,1H3,(H,14,15)(H,10,11,13);4H,1-3H2.
What are the key properties of 2-aminoethanol;2-[[4-(3-methoxy-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid?
2-aminoethanol;2-[[4-(3-methoxy-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid has a molecular weight of 330.32 g/mol, XLogP of -0.23, 4 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanol;2-[[4-(3-methoxy-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid is sourced from PubChem (CID 14814738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).