2-[2-anilino-4-(4-phenoxyphenyl)-1,3-thiazol-5-yl]acetic acid

C23H18N2O3S — CID 2178182

IUPAC2-[2-anilino-4-(4-phenoxyphenyl)-1,3-thiazol-5-yl]acetic acid
SMILESO=C(O)Cc1sc(Nc2ccccc2)nc1-c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C23H18N2O3S/c26-21(27)15-20-22(25-23(29-20)24-17-7-3-1-4-8-17)16-11-13-19(14-12-16)28-18-9-5-2-6-10-18/h1-14H,15H2,(H,24,25)(H,26,27)
InChIKeyDFCMQNJBQNIEHU-UHFFFAOYSA-N
MW402.48 g/mol
LogP5.97
Rot. Bonds7

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

2-[2-anilino-4-(4-phenoxyphenyl)-1,3-thiazol-5-yl]acetic acid (PubChem CID 2178182) has the molecular formula C23H18N2O3S and a molecular weight of 402.48 g/mol. Its IUPAC name is 2-[2-anilino-4-(4-phenoxyphenyl)-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-anilino-4-(4-phenoxyphenyl)-1,3-thiazol-5-yl]acetic acid
PubChem CID2178182
Molecular FormulaC23H18N2O3S
Molecular Weight402.48 g/mol
Exact Mass402.10
IUPAC Name2-[2-anilino-4-(4-phenoxyphenyl)-1,3-thiazol-5-yl]acetic acid
SMILESO=C(O)Cc1sc(Nc2ccccc2)nc1-c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C23H18N2O3S/c26-21(27)15-20-22(25-23(29-20)24-17-7-3-1-4-8-17)16-11-13-19(14-12-16)28-18-9-5-2-6-10-18/h1-14H,15H2,(H,24,25)(H,26,27)
InChIKeyDFCMQNJBQNIEHU-UHFFFAOYSA-N
XLogP5.97
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.48
LogP ≤ 55.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[2-anilino-4-(4-phenoxyphenyl)-1,3-thiazol-5-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-{[4-(2-Methoxyphenyl)-1,3-thiazol-2-yl]amino}benzoic acid
CID 24776309
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
Acetic acid 4-[2-(6-methyl-pyridin-2-ylamino)-thiazol-4-yl]-phenyl ester
CID 1092437
2-Amino-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-thiazoleacetic acid
CID 6494197
N-(4-phenoxyphenyl)-4-phenyl-1,3-thiazol-2-amine
CID 873121
Methyl 3-[4-(4-methoxyphenyl)-2-(phenylamino)-1,3-thiazol-5-yl]propanoate
CID 1861424
3-[2-(Cyclohexylamino)-4-(4-methoxyphenyl)-5-thiazolyl]propanoic acid methyl ester
CID 2384164
2-(2-(2-Fluorophenylamino)-4-(4-phenoxyphenyl)thiazol-5-yl)acetic acid
CID 1001787
3-[4-(2-Oxo-2H-chromen-3-yl)-thiazol-2-ylamino]-benzoic acid
CID 1075903
2-(4-(4-Chlorophenyl)-2-(2-methoxyphenylamino)thiazol-5-yl)acetic acid
CID 1208785
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide
CID 2089709

Frequently Asked Questions

What is the IUPAC name of 2-[2-anilino-4-(4-phenoxyphenyl)-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[2-anilino-4-(4-phenoxyphenyl)-1,3-thiazol-5-yl]acetic acid (CID 2178182) is 2-[2-anilino-4-(4-phenoxyphenyl)-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-anilino-4-(4-phenoxyphenyl)-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-anilino-4-(4-phenoxyphenyl)-1,3-thiazol-5-yl]acetic acid is O=C(O)Cc1sc(Nc2ccccc2)nc1-c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-[2-anilino-4-(4-phenoxyphenyl)-1,3-thiazol-5-yl]acetic acid?
The InChIKey is DFCMQNJBQNIEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O3S/c26-21(27)15-20-22(25-23(29-20)24-17-7-3-1-4-8-17)16-11-13-19(14-12-16)28-18-9-5-2-6-10-18/h1-14H,15H2,(H,24,25)(H,26,27).
What are the key properties of 2-[2-anilino-4-(4-phenoxyphenyl)-1,3-thiazol-5-yl]acetic acid?
2-[2-anilino-4-(4-phenoxyphenyl)-1,3-thiazol-5-yl]acetic acid has a molecular weight of 402.48 g/mol, XLogP of 5.97, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-anilino-4-(4-phenoxyphenyl)-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 2178182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).