2-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-1,3-thiazole-4-carboxylic acid

C15H16N2O3S — CID 82154963

IUPAC2-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-1,3-thiazole-4-carboxylic acid
SMILESCC(C)c1ccc(NC(=O)Cc2nc(C(=O)O)cs2)cc1
InChIInChI=1S/C15H16N2O3S/c1-9(2)10-3-5-11(6-4-10)16-13(18)7-14-17-12(8-21-14)15(19)20/h3-6,8-9H,7H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyORIIELSULCABAH-UHFFFAOYSA-N
MW304.37 g/mol
LogP3.15
Rot. Bonds5

About 2-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-1,3-thiazole-4-carboxylic acid

2-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 82154963) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is 2-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-1,3-thiazole-4-carboxylic acid
PubChem CID82154963
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name2-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-1,3-thiazole-4-carboxylic acid
SMILESCC(C)c1ccc(NC(=O)Cc2nc(C(=O)O)cs2)cc1
InChIInChI=1S/C15H16N2O3S/c1-9(2)10-3-5-11(6-4-10)16-13(18)7-14-17-12(8-21-14)15(19)20/h3-6,8-9H,7H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyORIIELSULCABAH-UHFFFAOYSA-N
XLogP3.15
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2,6-dimethylanilino)-2-oxoethyl]-1,3-thiazole-4-carboxylic acid
CID 82154948
2-[2-oxo-2-(propylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 82154993
2-[4-(3-methylbutanoylamino)phenyl]-1,3-thiazole-4-carboxylic acid
CID 39163939
2-[[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanoylamino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119245151
N-butan-2-yl-2-[[propan-2-yl-[(4-propan-2-ylphenyl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxamide
CID 3991841
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(4-chlorophenyl)acetamide
CID 43244296
N-(4-methylphenyl)-2-[4-[[[(4-methylphenyl)-phenylmethyl]amino]methyl]-1,3-thiazol-2-yl]acetamide
CID 78788068
2-iodo-N-(4-propan-2-ylphenyl)acetamide
CID 60723215
2-(4-hydroxyphenyl)-N-(4-propan-2-ylphenyl)acetamide
CID 14879850
2-(3,4-dichlorophenyl)-N-(4-propan-2-ylphenyl)acetamide
CID 7957082
4-[(4-propan-2-ylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 115730066
2-[2-[(4-methylphenyl)carbamoylamino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66372558

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-1,3-thiazole-4-carboxylic acid (CID 82154963) is 2-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-1,3-thiazole-4-carboxylic acid is CC(C)c1ccc(NC(=O)Cc2nc(C(=O)O)cs2)cc1.
What is the InChIKey of 2-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is ORIIELSULCABAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-9(2)10-3-5-11(6-4-10)16-13(18)7-14-17-12(8-21-14)15(19)20/h3-6,8-9H,7H2,1-2H3,(H,16,18)(H,19,20).
What are the key properties of 2-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-1,3-thiazole-4-carboxylic acid?
2-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 304.37 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 82154963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).