2-[2-(2-ethoxyanilino)-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid

C20H20N2O3S — CID 3145370

IUPAC2-[2-(2-ethoxyanilino)-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid
SMILESCCOc1ccccc1Nc1nc(-c2ccc(C)cc2)c(CC(=O)O)s1
InChIInChI=1S/C20H20N2O3S/c1-3-25-16-7-5-4-6-15(16)21-20-22-19(17(26-20)12-18(23)24)14-10-8-13(2)9-11-14/h4-11H,3,12H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyRSVBLIVEUYZEGE-UHFFFAOYSA-N
MW368.46 g/mol
LogP4.89
Rot. Bonds7

About 2-[2-(2-ethoxyanilino)-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid

2-[2-(2-ethoxyanilino)-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid (PubChem CID 3145370) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is 2-[2-(2-ethoxyanilino)-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(2-ethoxyanilino)-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid
PubChem CID3145370
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC Name2-[2-(2-ethoxyanilino)-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid
SMILESCCOc1ccccc1Nc1nc(-c2ccc(C)cc2)c(CC(=O)O)s1
InChIInChI=1S/C20H20N2O3S/c1-3-25-16-7-5-4-6-15(16)21-20-22-19(17(26-20)12-18(23)24)14-10-8-13(2)9-11-14/h4-11H,3,12H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyRSVBLIVEUYZEGE-UHFFFAOYSA-N
XLogP4.89
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-(Bis(4-methoxyphenyl)amino)-4-(3-fluorophenyl)thiazol-5-yl)acetic acid
CID 16660291
2-{2-[(2-Methoxyphenyl)amino]-4-phenyl-1,3-thiazol-5-yl}acetic acid
CID 4095384
Methyl 3-[4-(4-methoxyphenyl)-2-(phenylamino)-1,3-thiazol-5-yl]propanoate
CID 1861424
4-{[1,1'-biphenyl]-4-yl}-N-(2-methoxyphenyl)-1,3-thiazol-2-amine
CID 2303545
2-(2-(2-Fluorophenylamino)-4-(4-phenoxyphenyl)thiazol-5-yl)acetic acid
CID 1001787
2-(4-(4-Chlorophenyl)-2-(2-methoxyphenylamino)thiazol-5-yl)acetic acid
CID 1208785
2-(4-(4-Phenoxyphenyl)-2-(phenylamino)thiazol-5-yl)acetic acid
CID 2178182
2-(2-(2-Chlorophenylamino)-4-(4-phenoxyphenyl)thiazol-5-yl)acetic acid
CID 3145335
2-(2-(2-Methoxyphenylamino)-4-(4-phenoxyphenyl)thiazol-5-yl)acetic acid
CID 3145349
2-(2-(4-Fluorophenylamino)-4-(4-phenoxyphenyl)thiazol-5-yl)acetic acid
CID 3145355
2-(2-(4-Methoxyphenylamino)-4-phenylthiazol-5-yl)acetic acid
CID 4100224
2-(4-(Biphenyl-4-yl)-2-(2-methoxyphenylamino)thiazol-5-yl)acetic acid
CID 46230336

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-ethoxyanilino)-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[2-(2-ethoxyanilino)-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid (CID 3145370) is 2-[2-(2-ethoxyanilino)-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-(2-ethoxyanilino)-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-(2-ethoxyanilino)-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid is CCOc1ccccc1Nc1nc(-c2ccc(C)cc2)c(CC(=O)O)s1.
What is the InChIKey of 2-[2-(2-ethoxyanilino)-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid?
The InChIKey is RSVBLIVEUYZEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S/c1-3-25-16-7-5-4-6-15(16)21-20-22-19(17(26-20)12-18(23)24)14-10-8-13(2)9-11-14/h4-11H,3,12H2,1-2H3,(H,21,22)(H,23,24).
What are the key properties of 2-[2-(2-ethoxyanilino)-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid?
2-[2-(2-ethoxyanilino)-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid has a molecular weight of 368.46 g/mol, XLogP of 4.89, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-ethoxyanilino)-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 3145370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).