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

C15H19N3O6S — CID 13177622

IUPAC2-aminoethanol;2-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid
SMILESCOc1ccc(OC)c(-c2csc(NC(=O)C(=O)O)n2)c1.NCCO
InChIInChI=1S/C13H12N2O5S.C2H7NO/c1-19-7-3-4-10(20-2)8(5-7)9-6-21-13(14-9)15-11(16)12(17)18;3-1-2-4/h3-6H,1-2H3,(H,17,18)(H,14,15,16);4H,1-3H2
InChIKeySAUYUXCTOBCTAF-UHFFFAOYSA-N
MW369.40 g/mol
LogP0.79
Rot. Bonds5

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

2-aminoethanol;2-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid (PubChem CID 13177622) has the molecular formula C15H19N3O6S and a molecular weight of 369.40 g/mol. Its IUPAC name is 2-aminoethanol;2-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid.

Molecular Properties

Compound Name2-aminoethanol;2-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid
PubChem CID13177622
Molecular FormulaC15H19N3O6S
Molecular Weight369.40 g/mol
Exact Mass369.10
IUPAC Name2-aminoethanol;2-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid
SMILESCOc1ccc(OC)c(-c2csc(NC(=O)C(=O)O)n2)c1.NCCO
InChIInChI=1S/C13H12N2O5S.C2H7NO/c1-19-7-3-4-10(20-2)8(5-7)9-6-21-13(14-9)15-11(16)12(17)18;3-1-2-4/h3-6H,1-2H3,(H,17,18)(H,14,15,16);4H,1-3H2
InChIKeySAUYUXCTOBCTAF-UHFFFAOYSA-N
XLogP0.79
TPSA144.00 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 50.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid?
The IUPAC name of 2-aminoethanol;2-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid (CID 13177622) is 2-aminoethanol;2-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid.
What is the SMILES notation for 2-aminoethanol;2-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid?
The canonical SMILES for 2-aminoethanol;2-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid is COc1ccc(OC)c(-c2csc(NC(=O)C(=O)O)n2)c1.NCCO.
What is the InChIKey of 2-aminoethanol;2-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid?
The InChIKey is SAUYUXCTOBCTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O5S.C2H7NO/c1-19-7-3-4-10(20-2)8(5-7)9-6-21-13(14-9)15-11(16)12(17)18;3-1-2-4/h3-6H,1-2H3,(H,17,18)(H,14,15,16);4H,1-3H2.
What are the key properties of 2-aminoethanol;2-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid?
2-aminoethanol;2-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid has a molecular weight of 369.40 g/mol, XLogP of 0.79, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanol;2-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid is sourced from PubChem (CID 13177622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).