2-[(2-methoxyacetyl)amino]-4-pyridin-4-yl-1,3-thiazole-5-carboxylic acid

C12H11N3O4S — CID 82226599

IUPAC2-[(2-methoxyacetyl)amino]-4-pyridin-4-yl-1,3-thiazole-5-carboxylic acid
SMILESCOCC(=O)Nc1nc(-c2ccncc2)c(C(=O)O)s1
InChIInChI=1S/C12H11N3O4S/c1-19-6-8(16)14-12-15-9(10(20-12)11(17)18)7-2-4-13-5-3-7/h2-5H,6H2,1H3,(H,17,18)(H,14,15,16)
InChIKeyJUWMQDFALIXWCE-UHFFFAOYSA-N
MW293.30 g/mol
LogP1.49
Rot. Bonds5

About 2-[(2-methoxyacetyl)amino]-4-pyridin-4-yl-1,3-thiazole-5-carboxylic acid

2-[(2-methoxyacetyl)amino]-4-pyridin-4-yl-1,3-thiazole-5-carboxylic acid (PubChem CID 82226599) has the molecular formula C12H11N3O4S and a molecular weight of 293.30 g/mol. Its IUPAC name is 2-[(2-methoxyacetyl)amino]-4-pyridin-4-yl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[(2-methoxyacetyl)amino]-4-pyridin-4-yl-1,3-thiazole-5-carboxylic acid
PubChem CID82226599
Molecular FormulaC12H11N3O4S
Molecular Weight293.30 g/mol
Exact Mass293.05
IUPAC Name2-[(2-methoxyacetyl)amino]-4-pyridin-4-yl-1,3-thiazole-5-carboxylic acid
SMILESCOCC(=O)Nc1nc(-c2ccncc2)c(C(=O)O)s1
InChIInChI=1S/C12H11N3O4S/c1-19-6-8(16)14-12-15-9(10(20-12)11(17)18)7-2-4-13-5-3-7/h2-5H,6H2,1H3,(H,17,18)(H,14,15,16)
InChIKeyJUWMQDFALIXWCE-UHFFFAOYSA-N
XLogP1.49
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(2-methoxyacetyl)amino]-4-pyridin-4-yl-1,3-thiazole-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-methoxyacetyl)amino]-4-thiophen-2-yl-1,3-thiazole-5-carboxylic acid
CID 82226534
4-(3-fluorophenyl)-2-[(2-methoxyacetyl)amino]-1,3-thiazole-5-carboxylic acid
CID 94970415
2-(2,2-dimethylpropanoylamino)-4-pyridin-4-yl-1,3-thiazole-5-carboxylic acid
CID 82226596
2-[(2-methoxyacetyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 82226333
2-(cyclobutanecarbonylamino)-4-pyridin-4-yl-1,3-thiazole-5-carboxylic acid
CID 82226600
N-[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,3-thiazol-2-yl]propanamide
CID 22993762
2-[(2-methoxyacetyl)amino]-4-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxylic acid
CID 94970430
2-(butanoylamino)-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylic acid
CID 94970416
2-(cyclopropanecarbonylamino)-4-(4-methoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 94970422
4-(3,4-dimethylphenyl)-2-(propanoylamino)-1,3-thiazole-5-carboxylic acid
CID 82226567
2-acetamido-4-(3-methoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 82226564
1-(2-anilino-4-pyridin-4-yl-1,3-thiazol-5-yl)ethanone
CID 58242807

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyacetyl)amino]-4-pyridin-4-yl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[(2-methoxyacetyl)amino]-4-pyridin-4-yl-1,3-thiazole-5-carboxylic acid (CID 82226599) is 2-[(2-methoxyacetyl)amino]-4-pyridin-4-yl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[(2-methoxyacetyl)amino]-4-pyridin-4-yl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[(2-methoxyacetyl)amino]-4-pyridin-4-yl-1,3-thiazole-5-carboxylic acid is COCC(=O)Nc1nc(-c2ccncc2)c(C(=O)O)s1.
What is the InChIKey of 2-[(2-methoxyacetyl)amino]-4-pyridin-4-yl-1,3-thiazole-5-carboxylic acid?
The InChIKey is JUWMQDFALIXWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O4S/c1-19-6-8(16)14-12-15-9(10(20-12)11(17)18)7-2-4-13-5-3-7/h2-5H,6H2,1H3,(H,17,18)(H,14,15,16).
What are the key properties of 2-[(2-methoxyacetyl)amino]-4-pyridin-4-yl-1,3-thiazole-5-carboxylic acid?
2-[(2-methoxyacetyl)amino]-4-pyridin-4-yl-1,3-thiazole-5-carboxylic acid has a molecular weight of 293.30 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyacetyl)amino]-4-pyridin-4-yl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 82226599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).