2-[4-(4-methoxyphenyl)-2-(4-methylanilino)-1,3-thiazol-5-yl]acetic acid

C19H18N2O3S — CID 3145343

IUPAC2-[4-(4-methoxyphenyl)-2-(4-methylanilino)-1,3-thiazol-5-yl]acetic acid
SMILESCOc1ccc(-c2nc(Nc3ccc(C)cc3)sc2CC(=O)O)cc1
InChIInChI=1S/C19H18N2O3S/c1-12-3-7-14(8-4-12)20-19-21-18(16(25-19)11-17(22)23)13-5-9-15(24-2)10-6-13/h3-10H,11H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyURQXSPCOPZESNH-UHFFFAOYSA-N
MW354.43 g/mol
LogP4.50
Rot. Bonds6

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

2-[4-(4-methoxyphenyl)-2-(4-methylanilino)-1,3-thiazol-5-yl]acetic acid (PubChem CID 3145343) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)-2-(4-methylanilino)-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)-2-(4-methylanilino)-1,3-thiazol-5-yl]acetic acid
PubChem CID3145343
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC Name2-[4-(4-methoxyphenyl)-2-(4-methylanilino)-1,3-thiazol-5-yl]acetic acid
SMILESCOc1ccc(-c2nc(Nc3ccc(C)cc3)sc2CC(=O)O)cc1
InChIInChI=1S/C19H18N2O3S/c1-12-3-7-14(8-4-12)20-19-21-18(16(25-19)11-17(22)23)13-5-9-15(24-2)10-6-13/h3-10H,11H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyURQXSPCOPZESNH-UHFFFAOYSA-N
XLogP4.50
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(4-methylanilino)-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 956764
2-[2-(4-methylanilino)-4-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 2295082
2-[2-(3-chloroanilino)-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]acetic acid
CID 1342093
2-[2-(3-methylanilino)-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 956720
2-[2-(3-chloro-4-methylanilino)-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 1001993
2-[2-anilino-4-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 23913706
2-[4-(2,5-dimethoxyphenyl)-2-(4-methylanilino)-1,3-thiazol-5-yl]acetate
CID 7460125
2-[2-(4-bromoanilino)-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetate
CID 2175811
2-[2-(2-fluoroanilino)-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 3145375
2-[2-[(4-methylbenzoyl)amino]-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 39200245
2-[4-(4-chlorophenyl)-2-[(4-methoxyphenyl)methylamino]-1,3-thiazol-5-yl]acetic acid
CID 3054245
2-[2-(3,5-dichloroanilino)-4-(3,4-dimethoxyphenyl)-1,3-thiazol-5-yl]acetic acid
CID 56695440

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)-2-(4-methylanilino)-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[4-(4-methoxyphenyl)-2-(4-methylanilino)-1,3-thiazol-5-yl]acetic acid (CID 3145343) is 2-[4-(4-methoxyphenyl)-2-(4-methylanilino)-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)-2-(4-methylanilino)-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[4-(4-methoxyphenyl)-2-(4-methylanilino)-1,3-thiazol-5-yl]acetic acid is COc1ccc(-c2nc(Nc3ccc(C)cc3)sc2CC(=O)O)cc1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)-2-(4-methylanilino)-1,3-thiazol-5-yl]acetic acid?
The InChIKey is URQXSPCOPZESNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S/c1-12-3-7-14(8-4-12)20-19-21-18(16(25-19)11-17(22)23)13-5-9-15(24-2)10-6-13/h3-10H,11H2,1-2H3,(H,20,21)(H,22,23).
What are the key properties of 2-[4-(4-methoxyphenyl)-2-(4-methylanilino)-1,3-thiazol-5-yl]acetic acid?
2-[4-(4-methoxyphenyl)-2-(4-methylanilino)-1,3-thiazol-5-yl]acetic acid has a molecular weight of 354.43 g/mol, XLogP of 4.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenyl)-2-(4-methylanilino)-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 3145343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).