5-methoxy-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]benzoic acid

C15H17NO4S — CID 61037478

IUPAC5-methoxy-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]benzoic acid
SMILESCOc1ccc(OCc2csc(C(C)C)n2)c(C(=O)O)c1
InChIInChI=1S/C15H17NO4S/c1-9(2)14-16-10(8-21-14)7-20-13-5-4-11(19-3)6-12(13)15(17)18/h4-6,8-9H,7H2,1-3H3,(H,17,18)
InChIKeyQDONDJSRETXAMO-UHFFFAOYSA-N
MW307.37 g/mol
LogP3.55
Rot. Bonds6

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

5-methoxy-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]benzoic acid (PubChem CID 61037478) has the molecular formula C15H17NO4S and a molecular weight of 307.37 g/mol. Its IUPAC name is 5-methoxy-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]benzoic acid.

Molecular Properties

Compound Name5-methoxy-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]benzoic acid
PubChem CID61037478
Molecular FormulaC15H17NO4S
Molecular Weight307.37 g/mol
Exact Mass307.09
IUPAC Name5-methoxy-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]benzoic acid
SMILESCOc1ccc(OCc2csc(C(C)C)n2)c(C(=O)O)c1
InChIInChI=1S/C15H17NO4S/c1-9(2)14-16-10(8-21-14)7-20-13-5-4-11(19-3)6-12(13)15(17)18/h4-6,8-9H,7H2,1-3H3,(H,17,18)
InChIKeyQDONDJSRETXAMO-UHFFFAOYSA-N
XLogP3.55
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-bromo-4-methoxyphenoxy)methyl]-2-propan-2-yl-1,3-thiazole
CID 104704731
3-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]pyridine-4-carboxylic acid
CID 81446500
1-[2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]ethanone
CID 61227732
4-[(3-fluoro-4-methoxyphenoxy)methyl]-2-propan-2-yl-1,3-thiazole
CID 86850292
2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]benzamide
CID 38866514
5-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]pyridine-2-carboxylic acid
CID 79793804
2-[(4-ethyl-1,3-thiazol-2-yl)oxy]-5-methoxybenzoic acid
CID 62961025
4-[(4-bromo-2-methylphenoxy)methyl]-2-propan-2-yl-1,3-thiazole
CID 63530798
2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenol
CID 54956266
4-[(2-bromo-4-methoxyphenoxy)methyl]-1,3-thiazol-2-amine
CID 113443676
1-[3-methoxy-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine
CID 61487675
(1R)-1-[4-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]ethanol
CID 63364376

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]benzoic acid?
The IUPAC name of 5-methoxy-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]benzoic acid (CID 61037478) is 5-methoxy-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]benzoic acid.
What is the SMILES notation for 5-methoxy-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]benzoic acid?
The canonical SMILES for 5-methoxy-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]benzoic acid is COc1ccc(OCc2csc(C(C)C)n2)c(C(=O)O)c1.
What is the InChIKey of 5-methoxy-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]benzoic acid?
The InChIKey is QDONDJSRETXAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4S/c1-9(2)14-16-10(8-21-14)7-20-13-5-4-11(19-3)6-12(13)15(17)18/h4-6,8-9H,7H2,1-3H3,(H,17,18).
What are the key properties of 5-methoxy-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]benzoic acid?
5-methoxy-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]benzoic acid has a molecular weight of 307.37 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]benzoic acid is sourced from PubChem (CID 61037478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).