2-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-ethyl-1,3-thiazole-5-carboxylic acid

C16H18N2O3S — CID 94760915

IUPAC2-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-ethyl-1,3-thiazole-5-carboxylic acid
SMILESCCc1nc(CC(=O)Nc2ccc(C)cc2C)sc1C(=O)O
InChIInChI=1S/C16H18N2O3S/c1-4-11-15(16(20)21)22-14(18-11)8-13(19)17-12-6-5-9(2)7-10(12)3/h5-7H,4,8H2,1-3H3,(H,17,19)(H,20,21)
InChIKeyNQVOICFFCVOPLE-UHFFFAOYSA-N
MW318.40 g/mol
LogP3.20
Rot. Bonds5

About 2-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-ethyl-1,3-thiazole-5-carboxylic acid

2-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-ethyl-1,3-thiazole-5-carboxylic acid (PubChem CID 94760915) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is 2-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-ethyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-ethyl-1,3-thiazole-5-carboxylic acid
PubChem CID94760915
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC Name2-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-ethyl-1,3-thiazole-5-carboxylic acid
SMILESCCc1nc(CC(=O)Nc2ccc(C)cc2C)sc1C(=O)O
InChIInChI=1S/C16H18N2O3S/c1-4-11-15(16(20)21)22-14(18-11)8-13(19)17-12-6-5-9(2)7-10(12)3/h5-7H,4,8H2,1-3H3,(H,17,19)(H,20,21)
InChIKeyNQVOICFFCVOPLE-UHFFFAOYSA-N
XLogP3.20
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 94761076
4-ethyl-2-[2-(4-methylphenyl)ethyl]-1,3-thiazole-5-carboxylic acid
CID 83971326
2-(2,4-dimethylanilino)-4-propyl-1,3-thiazole-5-carboxylic acid
CID 82065229
2-[2-(2-fluoroanilino)-2-oxoethyl]-4-propyl-1,3-thiazole-5-carboxylic acid
CID 94760953
2-[3-(2,5-dimethylphenoxy)propyl]-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 94760607
2-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 9154260
2-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 82154727
2-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 82154739
2-(2,4-dimethyl-1,3-oxazol-5-yl)-N-(2,4-dimethylphenyl)acetamide
CID 110680104
N-(2,4-dimethylphenyl)-2-[2-(ethylamino)-1,3-thiazol-4-yl]acetamide
CID 18525097
2-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 82154731
2-(4-bromophenyl)-N-(2,4-dimethylphenyl)acetamide
CID 2600129

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-ethyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-ethyl-1,3-thiazole-5-carboxylic acid (CID 94760915) is 2-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-ethyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-ethyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-ethyl-1,3-thiazole-5-carboxylic acid is CCc1nc(CC(=O)Nc2ccc(C)cc2C)sc1C(=O)O.
What is the InChIKey of 2-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-ethyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is NQVOICFFCVOPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-4-11-15(16(20)21)22-14(18-11)8-13(19)17-12-6-5-9(2)7-10(12)3/h5-7H,4,8H2,1-3H3,(H,17,19)(H,20,21).
What are the key properties of 2-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-ethyl-1,3-thiazole-5-carboxylic acid?
2-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-ethyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 318.40 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-ethyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 94760915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).