2-[1-(2-ethoxyanilino)-1-oxopropan-2-yl]-1,3-thiazole-4-carboxylic acid

C15H16N2O4S — CID 16642338

IUPAC2-[1-(2-ethoxyanilino)-1-oxopropan-2-yl]-1,3-thiazole-4-carboxylic acid
SMILESCCOc1ccccc1NC(=O)C(C)c1nc(C(=O)O)cs1
InChIInChI=1S/C15H16N2O4S/c1-3-21-12-7-5-4-6-10(12)16-13(18)9(2)14-17-11(8-22-14)15(19)20/h4-9H,3H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyVQVUOAVPKBFOIQ-UHFFFAOYSA-N
MW320.37 g/mol
LogP2.98
Rot. Bonds6

About 2-[1-(2-ethoxyanilino)-1-oxopropan-2-yl]-1,3-thiazole-4-carboxylic acid

2-[1-(2-ethoxyanilino)-1-oxopropan-2-yl]-1,3-thiazole-4-carboxylic acid (PubChem CID 16642338) has the molecular formula C15H16N2O4S and a molecular weight of 320.37 g/mol. Its IUPAC name is 2-[1-(2-ethoxyanilino)-1-oxopropan-2-yl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[1-(2-ethoxyanilino)-1-oxopropan-2-yl]-1,3-thiazole-4-carboxylic acid
PubChem CID16642338
Molecular FormulaC15H16N2O4S
Molecular Weight320.37 g/mol
Exact Mass320.08
IUPAC Name2-[1-(2-ethoxyanilino)-1-oxopropan-2-yl]-1,3-thiazole-4-carboxylic acid
SMILESCCOc1ccccc1NC(=O)C(C)c1nc(C(=O)O)cs1
InChIInChI=1S/C15H16N2O4S/c1-3-21-12-7-5-4-6-10(12)16-13(18)9(2)14-17-11(8-22-14)15(19)20/h4-9H,3H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyVQVUOAVPKBFOIQ-UHFFFAOYSA-N
XLogP2.98
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[(2R)-1-(2-ethoxyanilino)-1-oxopropan-2-yl]-1,3-thiazol-4-yl]acetate
CID 9158227
[(2R)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-phenyl-1,3-thiazole-4-carboxylate
CID 9310493
4-(2-ethoxyanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103496044
2-(2-ethoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 43140171
(2S)-2-amino-N-(2-ethoxyphenyl)propanamide;hydrochloride
CID 119263916
(2R)-2-(2-ethoxyanilino)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 8558782
1-[(2R)-but-3-yn-2-yl]-3-(2-ethoxyphenyl)urea
CID 100696926
(2S)-2-amino-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 22691717
2-[1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]-1,3-thiazole-4-carboxylic acid
CID 16642331
(2S)-2-amino-N-(2-ethoxyphenyl)butanamide
CID 79025438
2-[3-(2-ethoxyphenoxy)propyl]-1,3-thiazole-4-carboxylic acid
CID 94760687
[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]-propan-2-ylazanium
CID 2533842

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-ethoxyanilino)-1-oxopropan-2-yl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[1-(2-ethoxyanilino)-1-oxopropan-2-yl]-1,3-thiazole-4-carboxylic acid (CID 16642338) is 2-[1-(2-ethoxyanilino)-1-oxopropan-2-yl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[1-(2-ethoxyanilino)-1-oxopropan-2-yl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[1-(2-ethoxyanilino)-1-oxopropan-2-yl]-1,3-thiazole-4-carboxylic acid is CCOc1ccccc1NC(=O)C(C)c1nc(C(=O)O)cs1.
What is the InChIKey of 2-[1-(2-ethoxyanilino)-1-oxopropan-2-yl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is VQVUOAVPKBFOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4S/c1-3-21-12-7-5-4-6-10(12)16-13(18)9(2)14-17-11(8-22-14)15(19)20/h4-9H,3H2,1-2H3,(H,16,18)(H,19,20).
What are the key properties of 2-[1-(2-ethoxyanilino)-1-oxopropan-2-yl]-1,3-thiazole-4-carboxylic acid?
2-[1-(2-ethoxyanilino)-1-oxopropan-2-yl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 320.37 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-ethoxyanilino)-1-oxopropan-2-yl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 16642338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).