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

C11H10N2O4S2 — CID 82226534

IUPAC2-[(2-methoxyacetyl)amino]-4-thiophen-2-yl-1,3-thiazole-5-carboxylic acid
SMILESCOCC(=O)Nc1nc(-c2cccs2)c(C(=O)O)s1
InChIInChI=1S/C11H10N2O4S2/c1-17-5-7(14)12-11-13-8(6-3-2-4-18-6)9(19-11)10(15)16/h2-4H,5H2,1H3,(H,15,16)(H,12,13,14)
InChIKeyUSNWDXQMUAZJEU-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.15
Rot. Bonds5

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

2-[(2-methoxyacetyl)amino]-4-thiophen-2-yl-1,3-thiazole-5-carboxylic acid (PubChem CID 82226534) has the molecular formula C11H10N2O4S2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 2-[(2-methoxyacetyl)amino]-4-thiophen-2-yl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[(2-methoxyacetyl)amino]-4-thiophen-2-yl-1,3-thiazole-5-carboxylic acid
PubChem CID82226534
Molecular FormulaC11H10N2O4S2
Molecular Weight298.35 g/mol
Exact Mass298.01
IUPAC Name2-[(2-methoxyacetyl)amino]-4-thiophen-2-yl-1,3-thiazole-5-carboxylic acid
SMILESCOCC(=O)Nc1nc(-c2cccs2)c(C(=O)O)s1
InChIInChI=1S/C11H10N2O4S2/c1-17-5-7(14)12-11-13-8(6-3-2-4-18-6)9(19-11)10(15)16/h2-4H,5H2,1H3,(H,15,16)(H,12,13,14)
InChIKeyUSNWDXQMUAZJEU-UHFFFAOYSA-N
XLogP2.15
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2-methoxyacetyl)amino]-4-pyridin-4-yl-1,3-thiazole-5-carboxylic acid
CID 82226599
2-[(2-methoxyacetyl)amino]-4-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxylic acid
CID 94970430
4-(3-fluorophenyl)-2-[(2-methoxyacetyl)amino]-1,3-thiazole-5-carboxylic acid
CID 94970415
2-[(2-methoxyacetyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 82226333
N-(4,5-dithiophen-2-yl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide
CID 7918511
2-[(dimethylamino)methyl]-4-thiophen-2-yl-1,3-thiazole-5-carboxylic acid
CID 82227401
N-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 861899
2-[(2-methoxyacetyl)amino]thiophene-3-carboxylic acid
CID 16772284
methyl 4-methyl-2-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]-1,3-thiazole-5-carboxylate
CID 134046092
2-methoxy-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]acetamide
CID 51328878
N-(4-methoxyphenyl)-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide
CID 9125297
N-(4-fluoro-1,3-benzothiazol-2-yl)-2-methoxyacetamide
CID 53269300

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyacetyl)amino]-4-thiophen-2-yl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[(2-methoxyacetyl)amino]-4-thiophen-2-yl-1,3-thiazole-5-carboxylic acid (CID 82226534) is 2-[(2-methoxyacetyl)amino]-4-thiophen-2-yl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[(2-methoxyacetyl)amino]-4-thiophen-2-yl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[(2-methoxyacetyl)amino]-4-thiophen-2-yl-1,3-thiazole-5-carboxylic acid is COCC(=O)Nc1nc(-c2cccs2)c(C(=O)O)s1.
What is the InChIKey of 2-[(2-methoxyacetyl)amino]-4-thiophen-2-yl-1,3-thiazole-5-carboxylic acid?
The InChIKey is USNWDXQMUAZJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4S2/c1-17-5-7(14)12-11-13-8(6-3-2-4-18-6)9(19-11)10(15)16/h2-4H,5H2,1H3,(H,15,16)(H,12,13,14).
What are the key properties of 2-[(2-methoxyacetyl)amino]-4-thiophen-2-yl-1,3-thiazole-5-carboxylic acid?
2-[(2-methoxyacetyl)amino]-4-thiophen-2-yl-1,3-thiazole-5-carboxylic acid has a molecular weight of 298.35 g/mol, XLogP of 2.15, 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-thiophen-2-yl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 82226534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).