2-oxo-2-[[4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]amino]acetic acid

C14H14N2O6S — CID 13177608

IUPAC2-oxo-2-[[4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]amino]acetic acid
SMILESCOc1cc(-c2csc(NC(=O)C(=O)O)n2)cc(OC)c1OC
InChIInChI=1S/C14H14N2O6S/c1-20-9-4-7(5-10(21-2)11(9)22-3)8-6-23-14(15-8)16-12(17)13(18)19/h4-6H,1-3H3,(H,18,19)(H,15,16,17)
InChIKeyDQXWQXMZPFOFLI-UHFFFAOYSA-N
MW338.34 g/mol
LogP1.86
Rot. Bonds5

About 2-oxo-2-[[4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]amino]acetic acid

2-oxo-2-[[4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]amino]acetic acid (PubChem CID 13177608) has the molecular formula C14H14N2O6S and a molecular weight of 338.34 g/mol. Its IUPAC name is 2-oxo-2-[[4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]amino]acetic acid.

Molecular Properties

Compound Name2-oxo-2-[[4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]amino]acetic acid
PubChem CID13177608
Molecular FormulaC14H14N2O6S
Molecular Weight338.34 g/mol
Exact Mass338.06
IUPAC Name2-oxo-2-[[4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]amino]acetic acid
SMILESCOc1cc(-c2csc(NC(=O)C(=O)O)n2)cc(OC)c1OC
InChIInChI=1S/C14H14N2O6S/c1-20-9-4-7(5-10(21-2)11(9)22-3)8-6-23-14(15-8)16-12(17)13(18)19/h4-6H,1-3H3,(H,18,19)(H,15,16,17)
InChIKeyDQXWQXMZPFOFLI-UHFFFAOYSA-N
XLogP1.86
TPSA106.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 88901622
2-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid
CID 12689382
N-(4-phenyl-1,3-thiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2598512
3,4,5-trimethoxy-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]benzamide
CID 8916252
3,4,5-trimethoxy-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]benzamide
CID 3917091
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2109084
N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 24657607
N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 46668396
3,5-dichloro-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 4009017
3,4,5-trimethoxy-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 42008469
4-chloro-N-[4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 3009168
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 43405521

Frequently Asked Questions

What is the IUPAC name of 2-oxo-2-[[4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]amino]acetic acid?
The IUPAC name of 2-oxo-2-[[4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]amino]acetic acid (CID 13177608) is 2-oxo-2-[[4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]amino]acetic acid.
What is the SMILES notation for 2-oxo-2-[[4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]amino]acetic acid?
The canonical SMILES for 2-oxo-2-[[4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]amino]acetic acid is COc1cc(-c2csc(NC(=O)C(=O)O)n2)cc(OC)c1OC.
What is the InChIKey of 2-oxo-2-[[4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]amino]acetic acid?
The InChIKey is DQXWQXMZPFOFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O6S/c1-20-9-4-7(5-10(21-2)11(9)22-3)8-6-23-14(15-8)16-12(17)13(18)19/h4-6H,1-3H3,(H,18,19)(H,15,16,17).
What are the key properties of 2-oxo-2-[[4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]amino]acetic acid?
2-oxo-2-[[4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]amino]acetic acid has a molecular weight of 338.34 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-2-[[4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]amino]acetic acid is sourced from PubChem (CID 13177608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).