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

C19H17NO2S — CID 46229758

IUPAC2-[2-[(4-methylphenyl)methyl]-4-phenyl-1,3-thiazol-5-yl]acetic acid
SMILESCc1ccc(Cc2nc(-c3ccccc3)c(CC(=O)O)s2)cc1
InChIInChI=1S/C19H17NO2S/c1-13-7-9-14(10-8-13)11-17-20-19(15-5-3-2-4-6-15)16(23-17)12-18(21)22/h2-10H,11-12H2,1H3,(H,21,22)
InChIKeyJHPLYPKOTZBRIL-UHFFFAOYSA-N
MW323.42 g/mol
LogP4.34
Rot. Bonds5

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

2-[2-[(4-methylphenyl)methyl]-4-phenyl-1,3-thiazol-5-yl]acetic acid (PubChem CID 46229758) has the molecular formula C19H17NO2S and a molecular weight of 323.42 g/mol. Its IUPAC name is 2-[2-[(4-methylphenyl)methyl]-4-phenyl-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[(4-methylphenyl)methyl]-4-phenyl-1,3-thiazol-5-yl]acetic acid
PubChem CID46229758
Molecular FormulaC19H17NO2S
Molecular Weight323.42 g/mol
Exact Mass323.10
IUPAC Name2-[2-[(4-methylphenyl)methyl]-4-phenyl-1,3-thiazol-5-yl]acetic acid
SMILESCc1ccc(Cc2nc(-c3ccccc3)c(CC(=O)O)s2)cc1
InChIInChI=1S/C19H17NO2S/c1-13-7-9-14(10-8-13)11-17-20-19(15-5-3-2-4-6-15)16(23-17)12-18(21)22/h2-10H,11-12H2,1H3,(H,21,22)
InChIKeyJHPLYPKOTZBRIL-UHFFFAOYSA-N
XLogP4.34
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Fentiazac
CID 28871
2-(2,4-Diphenyl-1,3-thiazol-5-yl)acetic acid
CID 2763923
2-(2-Benzhydryl-4-phenylthiazol-5-yl)acetic acid
CID 46230226
5-Thiazoleacetic acid, 2-methyl-4-phenyl-
CID 214800
2-[4-(4-Methylphenyl)-2-(pyridin-3-yl)-1,3-thiazol-5-yl]acetic acid
CID 1955694
2-(2-Amino-4-phenyl-1,3-thiazol-5-yl)acetic acid
CID 291865
2-(2-(1,1-Diphenylethyl)-4-(4-fluorophenyl)thiazol-5-yl)acetic acid
CID 46880900
3-(2-(Bis(4-fluorophenyl)methyl)-4-(3-fluorophenyl)thiazol-5-yl)propanoic acid
CID 46880901
2-[2-Phenyl-4-(thiophen-2-yl)-1,3-thiazol-5-yl]acetic acid
CID 723168
2-[5-(4-Methylphenyl)-2-pyridin-3-yl-1,3-thiazol-4-yl]acetic acid
CID 2384336
[2-Amino-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-5-yl]acetic acid
CID 16462824
4-(4-phenyl-1,3-thiazol-2-yl)benzoic Acid
CID 1483684

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-methylphenyl)methyl]-4-phenyl-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[2-[(4-methylphenyl)methyl]-4-phenyl-1,3-thiazol-5-yl]acetic acid (CID 46229758) is 2-[2-[(4-methylphenyl)methyl]-4-phenyl-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-[(4-methylphenyl)methyl]-4-phenyl-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-[(4-methylphenyl)methyl]-4-phenyl-1,3-thiazol-5-yl]acetic acid is Cc1ccc(Cc2nc(-c3ccccc3)c(CC(=O)O)s2)cc1.
What is the InChIKey of 2-[2-[(4-methylphenyl)methyl]-4-phenyl-1,3-thiazol-5-yl]acetic acid?
The InChIKey is JHPLYPKOTZBRIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO2S/c1-13-7-9-14(10-8-13)11-17-20-19(15-5-3-2-4-6-15)16(23-17)12-18(21)22/h2-10H,11-12H2,1H3,(H,21,22).
What are the key properties of 2-[2-[(4-methylphenyl)methyl]-4-phenyl-1,3-thiazol-5-yl]acetic acid?
2-[2-[(4-methylphenyl)methyl]-4-phenyl-1,3-thiazol-5-yl]acetic acid has a molecular weight of 323.42 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-methylphenyl)methyl]-4-phenyl-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 46229758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).