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

C12H11NO3S — CID 63019403

IUPAC3-[(2-methyl-1,3-thiazol-5-yl)methoxy]benzoic acid
SMILESCc1ncc(COc2cccc(C(=O)O)c2)s1
InChIInChI=1S/C12H11NO3S/c1-8-13-6-11(17-8)7-16-10-4-2-3-9(5-10)12(14)15/h2-6H,7H2,1H3,(H,14,15)
InChIKeyNKUQQNZQDHLKQU-UHFFFAOYSA-N
MW249.29 g/mol
LogP2.73
Rot. Bonds4

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

3-[(2-methyl-1,3-thiazol-5-yl)methoxy]benzoic acid (PubChem CID 63019403) has the molecular formula C12H11NO3S and a molecular weight of 249.29 g/mol. Its IUPAC name is 3-[(2-methyl-1,3-thiazol-5-yl)methoxy]benzoic acid.

Molecular Properties

Compound Name3-[(2-methyl-1,3-thiazol-5-yl)methoxy]benzoic acid
PubChem CID63019403
Molecular FormulaC12H11NO3S
Molecular Weight249.29 g/mol
Exact Mass249.05
IUPAC Name3-[(2-methyl-1,3-thiazol-5-yl)methoxy]benzoic acid
SMILESCc1ncc(COc2cccc(C(=O)O)c2)s1
InChIInChI=1S/C12H11NO3S/c1-8-13-6-11(17-8)7-16-10-4-2-3-9(5-10)12(14)15/h2-6H,7H2,1H3,(H,14,15)
InChIKeyNKUQQNZQDHLKQU-UHFFFAOYSA-N
XLogP2.73
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethoxy]benzoic acid
CID 103243274
3-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenol
CID 63020479
3-methoxy-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]benzoic acid
CID 63019580
tert-butyl-dimethyl-[3-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenoxy]silane
CID 90075590
3-(2-methoxyethoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 86835966
3-(2-methyl-1,3-thiazol-5-yl)benzoic acid
CID 68846285
N-methyl-1-[3-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanamine
CID 63020641
N-ethyl-N-methyl-3-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methoxy]benzamide
CID 166314686
2-methyl-7-[(2-methyl-1,3-thiazol-5-yl)methoxy]indolizine-1-carboxylic acid
CID 178077256
3-(1,2,4-oxadiazol-5-ylmethoxy)benzoic acid
CID 43307236
3-[(2-methyl-1,3-benzothiazol-6-yl)oxymethyl]benzoic acid
CID 82189809
3-[(3-fluorophenyl)methoxy]benzoic acid
CID 6463764

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-1,3-thiazol-5-yl)methoxy]benzoic acid?
The IUPAC name of 3-[(2-methyl-1,3-thiazol-5-yl)methoxy]benzoic acid (CID 63019403) is 3-[(2-methyl-1,3-thiazol-5-yl)methoxy]benzoic acid.
What is the SMILES notation for 3-[(2-methyl-1,3-thiazol-5-yl)methoxy]benzoic acid?
The canonical SMILES for 3-[(2-methyl-1,3-thiazol-5-yl)methoxy]benzoic acid is Cc1ncc(COc2cccc(C(=O)O)c2)s1.
What is the InChIKey of 3-[(2-methyl-1,3-thiazol-5-yl)methoxy]benzoic acid?
The InChIKey is NKUQQNZQDHLKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3S/c1-8-13-6-11(17-8)7-16-10-4-2-3-9(5-10)12(14)15/h2-6H,7H2,1H3,(H,14,15).
What are the key properties of 3-[(2-methyl-1,3-thiazol-5-yl)methoxy]benzoic acid?
3-[(2-methyl-1,3-thiazol-5-yl)methoxy]benzoic acid has a molecular weight of 249.29 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-1,3-thiazol-5-yl)methoxy]benzoic acid is sourced from PubChem (CID 63019403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).