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

C13H13NO4S — CID 63019580

IUPAC3-methoxy-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]benzoic acid
SMILESCOc1cc(C(=O)O)ccc1OCc1cnc(C)s1
InChIInChI=1S/C13H13NO4S/c1-8-14-6-10(19-8)7-18-11-4-3-9(13(15)16)5-12(11)17-2/h3-6H,7H2,1-2H3,(H,15,16)
InChIKeyYTIKKSZCVWCVLC-UHFFFAOYSA-N
MW279.32 g/mol
LogP2.74
Rot. Bonds5

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

3-methoxy-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]benzoic acid (PubChem CID 63019580) has the molecular formula C13H13NO4S and a molecular weight of 279.32 g/mol. Its IUPAC name is 3-methoxy-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]benzoic acid.

Molecular Properties

Compound Name3-methoxy-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]benzoic acid
PubChem CID63019580
Molecular FormulaC13H13NO4S
Molecular Weight279.32 g/mol
Exact Mass279.06
IUPAC Name3-methoxy-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]benzoic acid
SMILESCOc1cc(C(=O)O)ccc1OCc1cnc(C)s1
InChIInChI=1S/C13H13NO4S/c1-8-14-6-10(19-8)7-18-11-4-3-9(13(15)16)5-12(11)17-2/h3-6H,7H2,1-2H3,(H,15,16)
InChIKeyYTIKKSZCVWCVLC-UHFFFAOYSA-N
XLogP2.74
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-methyl-1,3-thiazol-5-yl)methoxy]benzoic acid
CID 63019403
1-[3-methoxy-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanamine
CID 63021499
5-iodo-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]benzoic acid
CID 82995712
3-methoxy-4-(1,2-oxazol-3-ylmethoxy)benzoic acid
CID 117053432
4-[5-(4-carboxy-2-methoxyphenoxy)pentoxy]-3-methoxybenzoic acid
CID 15329160
4-[3-(4-carboxy-2-methoxyphenoxy)propoxy]-3-methoxybenzoic acid
CID 11132553
4-(hydroxymethoxy)-3-methoxybenzoic acid
CID 142628335
2-[(2-methyl-1,3-thiazol-5-yl)methoxy]-5-nitrobenzoic acid
CID 63020472
3,4-dimethoxybenzoic acid;methanol
CID 144580050
4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-3-methoxybenzoic acid
CID 28781895
3,4-dimethoxy-N'-[2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]acetyl]benzohydrazide
CID 55838977
5-[(4-carbamoyl-2-methoxyphenoxy)methyl]thiophene-2-carboxylic acid
CID 63379921

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]benzoic acid?
The IUPAC name of 3-methoxy-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]benzoic acid (CID 63019580) is 3-methoxy-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]benzoic acid.
What is the SMILES notation for 3-methoxy-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]benzoic acid?
The canonical SMILES for 3-methoxy-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]benzoic acid is COc1cc(C(=O)O)ccc1OCc1cnc(C)s1.
What is the InChIKey of 3-methoxy-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]benzoic acid?
The InChIKey is YTIKKSZCVWCVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4S/c1-8-14-6-10(19-8)7-18-11-4-3-9(13(15)16)5-12(11)17-2/h3-6H,7H2,1-2H3,(H,15,16).
What are the key properties of 3-methoxy-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]benzoic acid?
3-methoxy-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]benzoic acid has a molecular weight of 279.32 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]benzoic acid is sourced from PubChem (CID 63019580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).