2-methyl-4-[(2-propyl-1,3-thiazol-4-yl)methoxy]benzoic acid

C15H17NO3S — CID 107671236

IUPAC2-methyl-4-[(2-propyl-1,3-thiazol-4-yl)methoxy]benzoic acid
SMILESCCCc1nc(COc2ccc(C(=O)O)c(C)c2)cs1
InChIInChI=1S/C15H17NO3S/c1-3-4-14-16-11(9-20-14)8-19-12-5-6-13(15(17)18)10(2)7-12/h5-7,9H,3-4,8H2,1-2H3,(H,17,18)
InChIKeyBFMXCVUKXDOOFD-UHFFFAOYSA-N
MW291.37 g/mol
LogP3.68
Rot. Bonds6

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

2-methyl-4-[(2-propyl-1,3-thiazol-4-yl)methoxy]benzoic acid (PubChem CID 107671236) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is 2-methyl-4-[(2-propyl-1,3-thiazol-4-yl)methoxy]benzoic acid.

Molecular Properties

Compound Name2-methyl-4-[(2-propyl-1,3-thiazol-4-yl)methoxy]benzoic acid
PubChem CID107671236
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC Name2-methyl-4-[(2-propyl-1,3-thiazol-4-yl)methoxy]benzoic acid
SMILESCCCc1nc(COc2ccc(C(=O)O)c(C)c2)cs1
InChIInChI=1S/C15H17NO3S/c1-3-4-14-16-11(9-20-14)8-19-12-5-6-13(15(17)18)10(2)7-12/h5-7,9H,3-4,8H2,1-2H3,(H,17,18)
InChIKeyBFMXCVUKXDOOFD-UHFFFAOYSA-N
XLogP3.68
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethyl-4-[(2-propyl-1,3-thiazol-4-yl)methoxy]benzoic acid
CID 61487704
2-[(2-propyl-1,3-thiazol-4-yl)methoxy]benzoic acid
CID 43310246
4-[(4-fluorophenoxy)methyl]-2-propyl-1,3-thiazole
CID 60773447
4-[(4-bromophenoxy)methyl]-2-propyl-1,3-thiazole
CID 60773438
3,5-difluoro-4-[(2-propyl-1,3-thiazol-4-yl)methoxy]benzoic acid
CID 79880833
3-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-4-methylbenzoic acid
CID 60722313
(1S)-1-[3-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanol
CID 78933888
2-ethyl-4-[(4-fluoro-3-methylphenoxy)methyl]-1,3-thiazole
CID 81422379
2-methyl-4-(quinolin-2-ylmethoxy)benzoic acid
CID 67896812
4-[(5-bromothiophen-3-yl)methoxy]-2-methylbenzoic acid
CID 107671239
1-[4-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]propan-1-amine
CID 61487377
4-[4-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-ol
CID 61487425

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(2-propyl-1,3-thiazol-4-yl)methoxy]benzoic acid?
The IUPAC name of 2-methyl-4-[(2-propyl-1,3-thiazol-4-yl)methoxy]benzoic acid (CID 107671236) is 2-methyl-4-[(2-propyl-1,3-thiazol-4-yl)methoxy]benzoic acid.
What is the SMILES notation for 2-methyl-4-[(2-propyl-1,3-thiazol-4-yl)methoxy]benzoic acid?
The canonical SMILES for 2-methyl-4-[(2-propyl-1,3-thiazol-4-yl)methoxy]benzoic acid is CCCc1nc(COc2ccc(C(=O)O)c(C)c2)cs1.
What is the InChIKey of 2-methyl-4-[(2-propyl-1,3-thiazol-4-yl)methoxy]benzoic acid?
The InChIKey is BFMXCVUKXDOOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-3-4-14-16-11(9-20-14)8-19-12-5-6-13(15(17)18)10(2)7-12/h5-7,9H,3-4,8H2,1-2H3,(H,17,18).
What are the key properties of 2-methyl-4-[(2-propyl-1,3-thiazol-4-yl)methoxy]benzoic acid?
2-methyl-4-[(2-propyl-1,3-thiazol-4-yl)methoxy]benzoic acid has a molecular weight of 291.37 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(2-propyl-1,3-thiazol-4-yl)methoxy]benzoic acid is sourced from PubChem (CID 107671236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).