2-[(2-tert-butyl-1,3-thiazol-4-yl)methoxy]-3-methylbenzoic acid

C16H19NO3S — CID 60911184

IUPAC2-[(2-tert-butyl-1,3-thiazol-4-yl)methoxy]-3-methylbenzoic acid
SMILESCc1cccc(C(=O)O)c1OCc1csc(C(C)(C)C)n1
InChIInChI=1S/C16H19NO3S/c1-10-6-5-7-12(14(18)19)13(10)20-8-11-9-21-15(17-11)16(2,3)4/h5-7,9H,8H2,1-4H3,(H,18,19)
InChIKeyGALUFKMVGLFVTF-UHFFFAOYSA-N
MW305.40 g/mol
LogP4.03
Rot. Bonds4

About 2-[(2-tert-butyl-1,3-thiazol-4-yl)methoxy]-3-methylbenzoic acid

2-[(2-tert-butyl-1,3-thiazol-4-yl)methoxy]-3-methylbenzoic acid (PubChem CID 60911184) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is 2-[(2-tert-butyl-1,3-thiazol-4-yl)methoxy]-3-methylbenzoic acid.

Molecular Properties

Compound Name2-[(2-tert-butyl-1,3-thiazol-4-yl)methoxy]-3-methylbenzoic acid
PubChem CID60911184
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC Name2-[(2-tert-butyl-1,3-thiazol-4-yl)methoxy]-3-methylbenzoic acid
SMILESCc1cccc(C(=O)O)c1OCc1csc(C(C)(C)C)n1
InChIInChI=1S/C16H19NO3S/c1-10-6-5-7-12(14(18)19)13(10)20-8-11-9-21-15(17-11)16(2,3)4/h5-7,9H,8H2,1-4H3,(H,18,19)
InChIKeyGALUFKMVGLFVTF-UHFFFAOYSA-N
XLogP4.03
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-2-[(1-methyltriazol-4-yl)methoxy]benzoic acid
CID 107040940
3-ethoxy-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoic acid
CID 16769058
2-(2-carboxy-2-methylpropoxy)-3-methylbenzoic acid
CID 112611861
4-[(2,3,6-trimethylphenoxy)methyl]-1,3-thiazole-2-carboxylic acid
CID 43664330
2-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methoxy]phenoxy]ethanol
CID 111630061
4-[(2,6-dimethylphenoxy)methyl]-1,3-thiazole-2-carbohydrazide
CID 55213006
3-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-2-methylbenzamide
CID 115686050
2-[(3,5-dimethylphenyl)methoxy]-3-methylbenzoic acid
CID 60911444
3-methyl-2-[(1-methylpyrazol-4-yl)methoxy]benzoic acid
CID 54929892
2-[(3,4-dichlorophenyl)methoxy]-3-methylbenzoic acid
CID 63463861
[3-methyl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanol
CID 112612377
2-heptoxy-3-methylbenzoic acid
CID 54560597

Frequently Asked Questions

What is the IUPAC name of 2-[(2-tert-butyl-1,3-thiazol-4-yl)methoxy]-3-methylbenzoic acid?
The IUPAC name of 2-[(2-tert-butyl-1,3-thiazol-4-yl)methoxy]-3-methylbenzoic acid (CID 60911184) is 2-[(2-tert-butyl-1,3-thiazol-4-yl)methoxy]-3-methylbenzoic acid.
What is the SMILES notation for 2-[(2-tert-butyl-1,3-thiazol-4-yl)methoxy]-3-methylbenzoic acid?
The canonical SMILES for 2-[(2-tert-butyl-1,3-thiazol-4-yl)methoxy]-3-methylbenzoic acid is Cc1cccc(C(=O)O)c1OCc1csc(C(C)(C)C)n1.
What is the InChIKey of 2-[(2-tert-butyl-1,3-thiazol-4-yl)methoxy]-3-methylbenzoic acid?
The InChIKey is GALUFKMVGLFVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-10-6-5-7-12(14(18)19)13(10)20-8-11-9-21-15(17-11)16(2,3)4/h5-7,9H,8H2,1-4H3,(H,18,19).
What are the key properties of 2-[(2-tert-butyl-1,3-thiazol-4-yl)methoxy]-3-methylbenzoic acid?
2-[(2-tert-butyl-1,3-thiazol-4-yl)methoxy]-3-methylbenzoic acid has a molecular weight of 305.40 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-tert-butyl-1,3-thiazol-4-yl)methoxy]-3-methylbenzoic acid is sourced from PubChem (CID 60911184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).