2-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]acetic acid

C14H15NO2S — CID 4316740

IUPAC2-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]acetic acid
SMILESCc1cc(C)c(-c2csc(CC(=O)O)n2)c(C)c1
InChIInChI=1S/C14H15NO2S/c1-8-4-9(2)14(10(3)5-8)11-7-18-12(15-11)6-13(16)17/h4-5,7H,6H2,1-3H3,(H,16,17)
InChIKeyZVXZISKOPBCDGA-UHFFFAOYSA-N
MW261.35 g/mol
LogP3.36
Rot. Bonds3

About 2-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]acetic acid

2-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]acetic acid (PubChem CID 4316740) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is 2-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]acetic acid
PubChem CID4316740
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Name2-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]acetic acid
SMILESCc1cc(C)c(-c2csc(CC(=O)O)n2)c(C)c1
InChIInChI=1S/C14H15NO2S/c1-8-4-9(2)14(10(3)5-8)11-7-18-12(15-11)6-13(16)17/h4-5,7H,6H2,1-3H3,(H,16,17)
InChIKeyZVXZISKOPBCDGA-UHFFFAOYSA-N
XLogP3.36
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]propanoic acid
CID 94284207
2-[4-(2-methylphenyl)-1,3-thiazol-2-yl]acetic acid
CID 3962693
2-[4-(3-fluoro-4-methylphenyl)-1,3-thiazol-2-yl]acetic acid
CID 79020489
CID 131842856
CID 131842856
2-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]acetic acid
CID 28942199
2-(4-methylphenyl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 43951110
2-amino-2-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]ethanol
CID 116966767
2-(4-fluorophenyl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7597175
2-[4-(4-ethylsulfonylphenyl)-1,3-thiazol-2-yl]acetic acid
CID 4269847
2-[4-(4-ethylsulfanylphenyl)-1,3-thiazol-2-yl]acetic acid
CID 4264597
N-methyl-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine
CID 60642187
2-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]acetic acid
CID 116965645

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]acetic acid?
The IUPAC name of 2-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]acetic acid (CID 4316740) is 2-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]acetic acid?
The canonical SMILES for 2-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]acetic acid is Cc1cc(C)c(-c2csc(CC(=O)O)n2)c(C)c1.
What is the InChIKey of 2-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]acetic acid?
The InChIKey is ZVXZISKOPBCDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-8-4-9(2)14(10(3)5-8)11-7-18-12(15-11)6-13(16)17/h4-5,7H,6H2,1-3H3,(H,16,17).
What are the key properties of 2-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]acetic acid?
2-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]acetic acid has a molecular weight of 261.35 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]acetic acid is sourced from PubChem (CID 4316740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).