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

C12H12N2O4S2 — CID 94970430

IUPAC2-[(2-methoxyacetyl)amino]-4-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxylic acid
SMILESCOCC(=O)Nc1nc(Cc2cccs2)c(C(=O)O)s1
InChIInChI=1S/C12H12N2O4S2/c1-18-6-9(15)14-12-13-8(10(20-12)11(16)17)5-7-3-2-4-19-7/h2-4H,5-6H2,1H3,(H,16,17)(H,13,14,15)
InChIKeyLBJVJDLUZYPPNY-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.08
Rot. Bonds6

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

2-[(2-methoxyacetyl)amino]-4-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 94970430) has the molecular formula C12H12N2O4S2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-[(2-methoxyacetyl)amino]-4-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[(2-methoxyacetyl)amino]-4-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxylic acid
PubChem CID94970430
Molecular FormulaC12H12N2O4S2
Molecular Weight312.37 g/mol
Exact Mass312.02
IUPAC Name2-[(2-methoxyacetyl)amino]-4-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxylic acid
SMILESCOCC(=O)Nc1nc(Cc2cccs2)c(C(=O)O)s1
InChIInChI=1S/C12H12N2O4S2/c1-18-6-9(15)14-12-13-8(10(20-12)11(16)17)5-7-3-2-4-19-7/h2-4H,5-6H2,1H3,(H,16,17)(H,13,14,15)
InChIKeyLBJVJDLUZYPPNY-UHFFFAOYSA-N
XLogP2.08
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2-methoxyacetyl)amino]-4-thiophen-2-yl-1,3-thiazole-5-carboxylic acid
CID 82226534
2-[(2-methoxyacetyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 82226333
2-[(2-methoxyacetyl)amino]-4-pyridin-4-yl-1,3-thiazole-5-carboxylic acid
CID 82226599
4-(3-fluorophenyl)-2-[(2-methoxyacetyl)amino]-1,3-thiazole-5-carboxylic acid
CID 94970415
4-methyl-2-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxylic acid
CID 62502517
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
CID 8002261
[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] 2-thiophen-2-ylacetate
CID 2381090
2-[(3-fluorobenzoyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 94970466
4-(methoxymethyl)-2-(2-methylpropanoylamino)-1,3-thiazole-5-carboxylic acid
CID 82226605
N-(4-fluoro-1,3-benzothiazol-2-yl)-2-methoxyacetamide
CID 53269300
2-[(2-methoxyacetyl)amino]thiophene-3-carboxylic acid
CID 16772284
N-(1,3-benzothiazol-2-yl)-3-thiophen-2-ylpropanamide
CID 8571563

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyacetyl)amino]-4-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[(2-methoxyacetyl)amino]-4-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxylic acid (CID 94970430) is 2-[(2-methoxyacetyl)amino]-4-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[(2-methoxyacetyl)amino]-4-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[(2-methoxyacetyl)amino]-4-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxylic acid is COCC(=O)Nc1nc(Cc2cccs2)c(C(=O)O)s1.
What is the InChIKey of 2-[(2-methoxyacetyl)amino]-4-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is LBJVJDLUZYPPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4S2/c1-18-6-9(15)14-12-13-8(10(20-12)11(16)17)5-7-3-2-4-19-7/h2-4H,5-6H2,1H3,(H,16,17)(H,13,14,15).
What are the key properties of 2-[(2-methoxyacetyl)amino]-4-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxylic acid?
2-[(2-methoxyacetyl)amino]-4-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 312.37 g/mol, XLogP of 2.08, 6 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-ylmethyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 94970430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).