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

C19H18N2O2S — CID 956720

IUPAC2-[2-(3-methylanilino)-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid
SMILESCc1ccc(-c2nc(Nc3cccc(C)c3)sc2CC(=O)O)cc1
InChIInChI=1S/C19H18N2O2S/c1-12-6-8-14(9-7-12)18-16(11-17(22)23)24-19(21-18)20-15-5-3-4-13(2)10-15/h3-10H,11H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyXXJFRMNDHWGRLM-UHFFFAOYSA-N
MW338.43 g/mol
LogP4.80
Rot. Bonds5

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

2-[2-(3-methylanilino)-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid (PubChem CID 956720) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is 2-[2-(3-methylanilino)-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(3-methylanilino)-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid
PubChem CID956720
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC Name2-[2-(3-methylanilino)-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid
SMILESCc1ccc(-c2nc(Nc3cccc(C)c3)sc2CC(=O)O)cc1
InChIInChI=1S/C19H18N2O2S/c1-12-6-8-14(9-7-12)18-16(11-17(22)23)24-19(21-18)20-15-5-3-4-13(2)10-15/h3-10H,11H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyXXJFRMNDHWGRLM-UHFFFAOYSA-N
XLogP4.80
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-methylanilino)-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 956764
2-[2-(3-chloro-4-methylanilino)-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 1001993
2-[2-(3-chloroanilino)-4-(4-chlorophenyl)-1,3-thiazol-5-yl]acetic acid
CID 100950880
2-[4-(4-methoxyphenyl)-2-(4-methylanilino)-1,3-thiazol-5-yl]acetic acid
CID 3145343
2-[2-(4-methylanilino)-4-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 2295082
3-[2-(3-methylanilino)-4-pyridin-4-yl-1,3-thiazol-5-yl]propanoic acid
CID 44818114
2-[2-(3-chloroanilino)-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]acetic acid
CID 1342093
2-[2-(2-fluoroanilino)-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 3145375
2-[2-anilino-4-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 23913706
2-[4-(4-fluorophenyl)-2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]acetic acid
CID 29264700
2-[2-[(4-methylbenzoyl)amino]-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 39200245
2-[2-(4-bromoanilino)-4-(2,5-dimethylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 1339805

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methylanilino)-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[2-(3-methylanilino)-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid (CID 956720) is 2-[2-(3-methylanilino)-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-(3-methylanilino)-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-(3-methylanilino)-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid is Cc1ccc(-c2nc(Nc3cccc(C)c3)sc2CC(=O)O)cc1.
What is the InChIKey of 2-[2-(3-methylanilino)-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid?
The InChIKey is XXJFRMNDHWGRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2S/c1-12-6-8-14(9-7-12)18-16(11-17(22)23)24-19(21-18)20-15-5-3-4-13(2)10-15/h3-10H,11H2,1-2H3,(H,20,21)(H,22,23).
What are the key properties of 2-[2-(3-methylanilino)-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid?
2-[2-(3-methylanilino)-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid has a molecular weight of 338.43 g/mol, XLogP of 4.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methylanilino)-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 956720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).