2-[2-(2,6-dimethylanilino)-2-oxoethyl]-1,3-thiazole-4-carboxylic acid

C14H14N2O3S — CID 82154948

IUPAC2-[2-(2,6-dimethylanilino)-2-oxoethyl]-1,3-thiazole-4-carboxylic acid
SMILESCc1cccc(C)c1NC(=O)Cc1nc(C(=O)O)cs1
InChIInChI=1S/C14H14N2O3S/c1-8-4-3-5-9(2)13(8)16-11(17)6-12-15-10(7-20-12)14(18)19/h3-5,7H,6H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyHPSKQZBKMVGHKI-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.64
Rot. Bonds4

About 2-[2-(2,6-dimethylanilino)-2-oxoethyl]-1,3-thiazole-4-carboxylic acid

2-[2-(2,6-dimethylanilino)-2-oxoethyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 82154948) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is 2-[2-(2,6-dimethylanilino)-2-oxoethyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-(2,6-dimethylanilino)-2-oxoethyl]-1,3-thiazole-4-carboxylic acid
PubChem CID82154948
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Name2-[2-(2,6-dimethylanilino)-2-oxoethyl]-1,3-thiazole-4-carboxylic acid
SMILESCc1cccc(C)c1NC(=O)Cc1nc(C(=O)O)cs1
InChIInChI=1S/C14H14N2O3S/c1-8-4-3-5-9(2)13(8)16-11(17)6-12-15-10(7-20-12)14(18)19/h3-5,7H,6H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyHPSKQZBKMVGHKI-UHFFFAOYSA-N
XLogP2.64
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-dimethylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 110484535
2-[2-(2-methylphenyl)ethyl]-1,3-thiazole-4-carboxylic acid
CID 82295816
2-[2-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]acetic acid
CID 9153801
2-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 82154731
2-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 82154963
N-(2,3-dimethylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 110484536
2-[(2-ethyl-6-methylphenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696510
2-(2-ethyl-6-methylanilino)-1,3-thiazole-4-carboxylic acid
CID 79023890
2-[2-oxo-2-(propylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 82154993
2-[2-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]acetate
CID 9153877
2-[[(2,3-dimethylphenyl)carbamoylamino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66380158
2-(2-aminoethyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 120617526

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,6-dimethylanilino)-2-oxoethyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[2-(2,6-dimethylanilino)-2-oxoethyl]-1,3-thiazole-4-carboxylic acid (CID 82154948) is 2-[2-(2,6-dimethylanilino)-2-oxoethyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[2-(2,6-dimethylanilino)-2-oxoethyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[2-(2,6-dimethylanilino)-2-oxoethyl]-1,3-thiazole-4-carboxylic acid is Cc1cccc(C)c1NC(=O)Cc1nc(C(=O)O)cs1.
What is the InChIKey of 2-[2-(2,6-dimethylanilino)-2-oxoethyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is HPSKQZBKMVGHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-8-4-3-5-9(2)13(8)16-11(17)6-12-15-10(7-20-12)14(18)19/h3-5,7H,6H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-[2-(2,6-dimethylanilino)-2-oxoethyl]-1,3-thiazole-4-carboxylic acid?
2-[2-(2,6-dimethylanilino)-2-oxoethyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 290.34 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,6-dimethylanilino)-2-oxoethyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 82154948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).