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

C14H15NO3S — CID 43310246

IUPAC2-[(2-propyl-1,3-thiazol-4-yl)methoxy]benzoic acid
SMILESCCCc1nc(COc2ccccc2C(=O)O)cs1
InChIInChI=1S/C14H15NO3S/c1-2-5-13-15-10(9-19-13)8-18-12-7-4-3-6-11(12)14(16)17/h3-4,6-7,9H,2,5,8H2,1H3,(H,16,17)
InChIKeyMRWAVDNPTIGKNH-UHFFFAOYSA-N
MW277.35 g/mol
LogP3.37
Rot. Bonds6

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

2-[(2-propyl-1,3-thiazol-4-yl)methoxy]benzoic acid (PubChem CID 43310246) has the molecular formula C14H15NO3S and a molecular weight of 277.35 g/mol. Its IUPAC name is 2-[(2-propyl-1,3-thiazol-4-yl)methoxy]benzoic acid.

Molecular Properties

Compound Name2-[(2-propyl-1,3-thiazol-4-yl)methoxy]benzoic acid
PubChem CID43310246
Molecular FormulaC14H15NO3S
Molecular Weight277.35 g/mol
Exact Mass277.08
IUPAC Name2-[(2-propyl-1,3-thiazol-4-yl)methoxy]benzoic acid
SMILESCCCc1nc(COc2ccccc2C(=O)O)cs1
InChIInChI=1S/C14H15NO3S/c1-2-5-13-15-10(9-19-13)8-18-12-7-4-3-6-11(12)14(16)17/h3-4,6-7,9H,2,5,8H2,1H3,(H,16,17)
InChIKeyMRWAVDNPTIGKNH-UHFFFAOYSA-N
XLogP3.37
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanol
CID 61487424
2-methyl-4-[(2-propyl-1,3-thiazol-4-yl)methoxy]benzoic acid
CID 107671236
1-[2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine
CID 61487340
(2-propyl-1,3-thiazol-4-yl)methyl 2-(difluoromethoxy)benzoate
CID 55571035
2-[[6-[(2-carboxyphenoxy)methyl]-2-pyridinyl]methoxy]benzoic acid
CID 15529741
3,5-dimethyl-4-[(2-propyl-1,3-thiazol-4-yl)methoxy]benzoic acid
CID 61487704
3,5-difluoro-4-[(2-propyl-1,3-thiazol-4-yl)methoxy]benzoic acid
CID 79880833
2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-6-fluorobenzoic acid
CID 104651306
4-[(4-fluorophenoxy)methyl]-2-propyl-1,3-thiazole
CID 60773447
2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methoxy]benzoic acid
CID 20983529
[3-methoxy-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol
CID 61487345
[3-ethoxy-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol
CID 61487304

Frequently Asked Questions

What is the IUPAC name of 2-[(2-propyl-1,3-thiazol-4-yl)methoxy]benzoic acid?
The IUPAC name of 2-[(2-propyl-1,3-thiazol-4-yl)methoxy]benzoic acid (CID 43310246) is 2-[(2-propyl-1,3-thiazol-4-yl)methoxy]benzoic acid.
What is the SMILES notation for 2-[(2-propyl-1,3-thiazol-4-yl)methoxy]benzoic acid?
The canonical SMILES for 2-[(2-propyl-1,3-thiazol-4-yl)methoxy]benzoic acid is CCCc1nc(COc2ccccc2C(=O)O)cs1.
What is the InChIKey of 2-[(2-propyl-1,3-thiazol-4-yl)methoxy]benzoic acid?
The InChIKey is MRWAVDNPTIGKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S/c1-2-5-13-15-10(9-19-13)8-18-12-7-4-3-6-11(12)14(16)17/h3-4,6-7,9H,2,5,8H2,1H3,(H,16,17).
What are the key properties of 2-[(2-propyl-1,3-thiazol-4-yl)methoxy]benzoic acid?
2-[(2-propyl-1,3-thiazol-4-yl)methoxy]benzoic acid has a molecular weight of 277.35 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-propyl-1,3-thiazol-4-yl)methoxy]benzoic acid is sourced from PubChem (CID 43310246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).