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

C24H20N2O4S — CID 3145349

IUPAC2-[2-(2-methoxyanilino)-4-(4-phenoxyphenyl)-1,3-thiazol-5-yl]acetic acid
SMILESCOc1ccccc1Nc1nc(-c2ccc(Oc3ccccc3)cc2)c(CC(=O)O)s1
InChIInChI=1S/C24H20N2O4S/c1-29-20-10-6-5-9-19(20)25-24-26-23(21(31-24)15-22(27)28)16-11-13-18(14-12-16)30-17-7-3-2-4-8-17/h2-14H,15H2,1H3,(H,25,26)(H,27,28)
InChIKeyPMKZKUMJZOODBM-UHFFFAOYSA-N
MW432.50 g/mol
LogP5.98
Rot. Bonds8

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

2-[2-(2-methoxyanilino)-4-(4-phenoxyphenyl)-1,3-thiazol-5-yl]acetic acid (PubChem CID 3145349) has the molecular formula C24H20N2O4S and a molecular weight of 432.50 g/mol. Its IUPAC name is 2-[2-(2-methoxyanilino)-4-(4-phenoxyphenyl)-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(2-methoxyanilino)-4-(4-phenoxyphenyl)-1,3-thiazol-5-yl]acetic acid
PubChem CID3145349
Molecular FormulaC24H20N2O4S
Molecular Weight432.50 g/mol
Exact Mass432.11
IUPAC Name2-[2-(2-methoxyanilino)-4-(4-phenoxyphenyl)-1,3-thiazol-5-yl]acetic acid
SMILESCOc1ccccc1Nc1nc(-c2ccc(Oc3ccccc3)cc2)c(CC(=O)O)s1
InChIInChI=1S/C24H20N2O4S/c1-29-20-10-6-5-9-19(20)25-24-26-23(21(31-24)15-22(27)28)16-11-13-18(14-12-16)30-17-7-3-2-4-8-17/h2-14H,15H2,1H3,(H,25,26)(H,27,28)
InChIKeyPMKZKUMJZOODBM-UHFFFAOYSA-N
XLogP5.98
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.50
LogP ≤ 55.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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
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
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide
CID 2089709
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-(4-Fluorophenylamino)-4-(4-phenoxyphenyl)thiazol-5-yl)acetic acid
CID 3145355
2-[2-(2-Ethoxyanilino)-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 3145370
2-(2-(4-Methoxyphenylamino)-4-phenylthiazol-5-yl)acetic acid
CID 4100224
2-(4-(4-Methoxyphenyl)-2-(4-phenoxyphenyl)thiazol-5-yl)acetic acid
CID 46230235

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyanilino)-4-(4-phenoxyphenyl)-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[2-(2-methoxyanilino)-4-(4-phenoxyphenyl)-1,3-thiazol-5-yl]acetic acid (CID 3145349) is 2-[2-(2-methoxyanilino)-4-(4-phenoxyphenyl)-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-(2-methoxyanilino)-4-(4-phenoxyphenyl)-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-(2-methoxyanilino)-4-(4-phenoxyphenyl)-1,3-thiazol-5-yl]acetic acid is COc1ccccc1Nc1nc(-c2ccc(Oc3ccccc3)cc2)c(CC(=O)O)s1.
What is the InChIKey of 2-[2-(2-methoxyanilino)-4-(4-phenoxyphenyl)-1,3-thiazol-5-yl]acetic acid?
The InChIKey is PMKZKUMJZOODBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O4S/c1-29-20-10-6-5-9-19(20)25-24-26-23(21(31-24)15-22(27)28)16-11-13-18(14-12-16)30-17-7-3-2-4-8-17/h2-14H,15H2,1H3,(H,25,26)(H,27,28).
What are the key properties of 2-[2-(2-methoxyanilino)-4-(4-phenoxyphenyl)-1,3-thiazol-5-yl]acetic acid?
2-[2-(2-methoxyanilino)-4-(4-phenoxyphenyl)-1,3-thiazol-5-yl]acetic acid has a molecular weight of 432.50 g/mol, XLogP of 5.98, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyanilino)-4-(4-phenoxyphenyl)-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 3145349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).