2-[2-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]acetic acid

C16H18N2O3S — CID 9153801

IUPAC2-[2-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]acetic acid
SMILESCCc1cccc(C)c1NC(=O)Cc1nc(CC(=O)O)cs1
InChIInChI=1S/C16H18N2O3S/c1-3-11-6-4-5-10(2)16(11)18-13(19)8-14-17-12(9-22-14)7-15(20)21/h4-6,9H,3,7-8H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyRFRJZBGUCPBSKG-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.82
Rot. Bonds6

About 2-[2-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]acetic acid

2-[2-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]acetic acid (PubChem CID 9153801) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is 2-[2-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]acetic acid
PubChem CID9153801
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC Name2-[2-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]acetic acid
SMILESCCc1cccc(C)c1NC(=O)Cc1nc(CC(=O)O)cs1
InChIInChI=1S/C16H18N2O3S/c1-3-11-6-4-5-10(2)16(11)18-13(19)8-14-17-12(9-22-14)7-15(20)21/h4-6,9H,3,7-8H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyRFRJZBGUCPBSKG-UHFFFAOYSA-N
XLogP2.82
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.82
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-(2,6-dimethylanilino)-2-oxoethyl]-1,3-thiazole-4-carboxylic acid
CID 82154948
2-[2-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]acetate
CID 9153877
N-(2-ethyl-6-methylphenyl)-2-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]acetamide
CID 71979833
N-(2-ethyl-6-methylphenyl)-2-(1,3-thiazol-4-yl)acetamide
CID 110857953
N-[4-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 18194371
2-(aminomethyl)-N-(2-ethyl-6-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119671103
N-(2-ethyl-6-methylphenyl)-2-thiophen-3-ylacetamide
CID 2603904
2-[2-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-4-yl]acetic acid
CID 9148295
2-[2-[2-[(2-hydroxy-3-methoxyphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-4-yl]acetic acid
CID 9148029
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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]acetic acid (CID 9153801) is 2-[2-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]acetic acid is CCc1cccc(C)c1NC(=O)Cc1nc(CC(=O)O)cs1.
What is the InChIKey of 2-[2-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is RFRJZBGUCPBSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-3-11-6-4-5-10(2)16(11)18-13(19)8-14-17-12(9-22-14)7-15(20)21/h4-6,9H,3,7-8H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 2-[2-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]acetic acid?
2-[2-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 318.40 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 9153801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).