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

C13H13NO3S — CID 28942199

IUPAC2-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]acetic acid
SMILESCOc1ccc(C)cc1-c1csc(CC(=O)O)n1
InChIInChI=1S/C13H13NO3S/c1-8-3-4-11(17-2)9(5-8)10-7-18-12(14-10)6-13(15)16/h3-5,7H,6H2,1-2H3,(H,15,16)
InChIKeyQJOXOMXGHHTDRU-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.75
Rot. Bonds4

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

2-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]acetic acid (PubChem CID 28942199) has the molecular formula C13H13NO3S and a molecular weight of 263.32 g/mol. Its IUPAC name is 2-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]acetic acid
PubChem CID28942199
Molecular FormulaC13H13NO3S
Molecular Weight263.32 g/mol
Exact Mass263.06
IUPAC Name2-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]acetic acid
SMILESCOc1ccc(C)cc1-c1csc(CC(=O)O)n1
InChIInChI=1S/C13H13NO3S/c1-8-3-4-11(17-2)9(5-8)10-7-18-12(14-10)6-13(15)16/h3-5,7H,6H2,1-2H3,(H,15,16)
InChIKeyQJOXOMXGHHTDRU-UHFFFAOYSA-N
XLogP2.75
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]acetate
CID 28942120
2-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-N-methylethanamine;hydrochloride
CID 120558486
1-[[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]methyl]-4-methylpyridin-2-one
CID 84566125
2-[4-(2-methylphenyl)-1,3-thiazol-2-yl]acetic acid
CID 3962693
2-[4-(2-methoxy-5-methylphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid
CID 39376254
2-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]acetic acid
CID 4316740
1-[2-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]ethyl]pyrrolidin-2-one
CID 51100877
N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
CID 26723539
2-[4-[2-(difluoromethoxy)-5-methylphenyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 18287994
2-amino-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]pentanamide;hydrochloride
CID 119273540
[4-(5-bromo-2-methoxyphenyl)-1,3-thiazol-2-yl]methanol
CID 82124686
1-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(6-methoxy-1-benzofuran-3-yl)propan-2-one
CID 159876818

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]acetic acid?
The IUPAC name of 2-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]acetic acid (CID 28942199) is 2-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]acetic acid?
The canonical SMILES for 2-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]acetic acid is COc1ccc(C)cc1-c1csc(CC(=O)O)n1.
What is the InChIKey of 2-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]acetic acid?
The InChIKey is QJOXOMXGHHTDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3S/c1-8-3-4-11(17-2)9(5-8)10-7-18-12(14-10)6-13(15)16/h3-5,7H,6H2,1-2H3,(H,15,16).
What are the key properties of 2-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]acetic acid?
2-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]acetic acid has a molecular weight of 263.32 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]acetic acid is sourced from PubChem (CID 28942199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).