3-(4-methylphenyl)-5-(1,3-thiazol-2-yloxy)benzoic acid

C17H13NO3S — CID 58188071

IUPAC3-(4-methylphenyl)-5-(1,3-thiazol-2-yloxy)benzoic acid
SMILESCc1ccc(-c2cc(Oc3nccs3)cc(C(=O)O)c2)cc1
InChIInChI=1S/C17H13NO3S/c1-11-2-4-12(5-3-11)13-8-14(16(19)20)10-15(9-13)21-17-18-6-7-22-17/h2-10H,1H3,(H,19,20)
InChIKeyWSOWYXWLGCPDNU-UHFFFAOYSA-N
MW311.36 g/mol
LogP4.61
Rot. Bonds4

About 3-(4-methylphenyl)-5-(1,3-thiazol-2-yloxy)benzoic acid

3-(4-methylphenyl)-5-(1,3-thiazol-2-yloxy)benzoic acid (PubChem CID 58188071) has the molecular formula C17H13NO3S and a molecular weight of 311.36 g/mol. Its IUPAC name is 3-(4-methylphenyl)-5-(1,3-thiazol-2-yloxy)benzoic acid.

Molecular Properties

Compound Name3-(4-methylphenyl)-5-(1,3-thiazol-2-yloxy)benzoic acid
PubChem CID58188071
Molecular FormulaC17H13NO3S
Molecular Weight311.36 g/mol
Exact Mass311.06
IUPAC Name3-(4-methylphenyl)-5-(1,3-thiazol-2-yloxy)benzoic acid
SMILESCc1ccc(-c2cc(Oc3nccs3)cc(C(=O)O)c2)cc1
InChIInChI=1S/C17H13NO3S/c1-11-2-4-12(5-3-11)13-8-14(16(19)20)10-15(9-13)21-17-18-6-7-22-17/h2-10H,1H3,(H,19,20)
InChIKeyWSOWYXWLGCPDNU-UHFFFAOYSA-N
XLogP4.61
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methylphenyl)-N-[1-(2-methylpyrimidin-5-yl)ethyl]-5-(1,3-thiazol-2-yloxy)benzamide
CID 67053788
3-(2-cyano-4-methylphenyl)-N-[(2-methylpyrimidin-5-yl)methyl]-5-(1,3-thiazol-2-yloxy)benzamide
CID 58188127
6-methylazulene-2-carboxylic acid
CID 57055895
3-(1,3-thiazol-2-yloxy)naphthalene-2-carboxylic acid
CID 61395519
3-(4-methylphenyl)-N-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]-5-[(4-phenyl-1,3-thiazol-2-yl)oxy]benzamide
CID 58188373
[4-(4-methylphenyl)phenyl]-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone
CID 90617689
4-methyl-2-(1,3-thiazol-2-yloxy)aniline
CID 43364080
3-(4-methylphenyl)-5-(thiadiazol-4-yl)benzoic acid
CID 68559804
ethyl 2-[4-(1,3-thiazol-2-yloxy)phenyl]propanoate
CID 12785117
N-tert-butyl-2-[4-(1,3-thiazol-2-yloxy)phenoxy]acetamide
CID 71977190
5-chloro-2-(1,3-thiazol-2-yloxy)benzoic acid
CID 61395721
3-(2-methylprop-1-enoxy)-5-[4-(2-methylprop-1-enoxy)phenyl]benzoic acid
CID 151638258

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-5-(1,3-thiazol-2-yloxy)benzoic acid?
The IUPAC name of 3-(4-methylphenyl)-5-(1,3-thiazol-2-yloxy)benzoic acid (CID 58188071) is 3-(4-methylphenyl)-5-(1,3-thiazol-2-yloxy)benzoic acid.
What is the SMILES notation for 3-(4-methylphenyl)-5-(1,3-thiazol-2-yloxy)benzoic acid?
The canonical SMILES for 3-(4-methylphenyl)-5-(1,3-thiazol-2-yloxy)benzoic acid is Cc1ccc(-c2cc(Oc3nccs3)cc(C(=O)O)c2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-5-(1,3-thiazol-2-yloxy)benzoic acid?
The InChIKey is WSOWYXWLGCPDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3S/c1-11-2-4-12(5-3-11)13-8-14(16(19)20)10-15(9-13)21-17-18-6-7-22-17/h2-10H,1H3,(H,19,20).
What are the key properties of 3-(4-methylphenyl)-5-(1,3-thiazol-2-yloxy)benzoic acid?
3-(4-methylphenyl)-5-(1,3-thiazol-2-yloxy)benzoic acid has a molecular weight of 311.36 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-5-(1,3-thiazol-2-yloxy)benzoic acid is sourced from PubChem (CID 58188071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).