4-methoxy-3-(1,3-thiazol-4-yl)benzoic acid

C11H9NO3S — CID 97033863

IUPAC4-methoxy-3-(1,3-thiazol-4-yl)benzoic acid
SMILESCOc1ccc(C(=O)O)cc1-c1cscn1
InChIInChI=1S/C11H9NO3S/c1-15-10-3-2-7(11(13)14)4-8(10)9-5-16-6-12-9/h2-6H,1H3,(H,13,14)
InChIKeyGTQUDFZGERNZKF-UHFFFAOYSA-N
MW235.26 g/mol
LogP2.52
Rot. Bonds3

About 4-methoxy-3-(1,3-thiazol-4-yl)benzoic acid

4-methoxy-3-(1,3-thiazol-4-yl)benzoic acid (PubChem CID 97033863) has the molecular formula C11H9NO3S and a molecular weight of 235.26 g/mol. Its IUPAC name is 4-methoxy-3-(1,3-thiazol-4-yl)benzoic acid.

Molecular Properties

Compound Name4-methoxy-3-(1,3-thiazol-4-yl)benzoic acid
PubChem CID97033863
Molecular FormulaC11H9NO3S
Molecular Weight235.26 g/mol
Exact Mass235.03
IUPAC Name4-methoxy-3-(1,3-thiazol-4-yl)benzoic acid
SMILESCOc1ccc(C(=O)O)cc1-c1cscn1
InChIInChI=1S/C11H9NO3S/c1-15-10-3-2-7(11(13)14)4-8(10)9-5-16-6-12-9/h2-6H,1H3,(H,13,14)
InChIKeyGTQUDFZGERNZKF-UHFFFAOYSA-N
XLogP2.52
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-fluoro-2-methoxyphenyl)-1,3-thiazole
CID 4984858
1-[4-amino-3-(1,3-thiazol-4-yl)phenyl]ethanone
CID 174466781
3,4-dimethoxybenzoic acid;methanol
CID 144580050
4-(2,3,4-trimethoxyphenyl)-1,3-thiazole
CID 5239941
3-(3-hydroxyphenyl)-4-methoxybenzoic acid
CID 115045204
3-ethoxy-4-(1,3-thiazol-4-ylmethoxy)benzoic acid
CID 16769585
3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-methoxybenzoic acid
CID 82039745
4-(2-amino-2-methylpropoxy)-3-methoxybenzoic acid
CID 117053424
4-(4-fluoro-2-methoxyphenyl)-1,3-thiazole
CID 177183935
3-(3-bromophenyl)-4-methoxybenzoic acid
CID 115503797
4-amino-3-methoxybenzoic acid;ethane
CID 91282219
3,4-dimethoxy-N-[3-(1,3-thiazol-4-yl)phenyl]benzamide
CID 29088076

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(1,3-thiazol-4-yl)benzoic acid?
The IUPAC name of 4-methoxy-3-(1,3-thiazol-4-yl)benzoic acid (CID 97033863) is 4-methoxy-3-(1,3-thiazol-4-yl)benzoic acid.
What is the SMILES notation for 4-methoxy-3-(1,3-thiazol-4-yl)benzoic acid?
The canonical SMILES for 4-methoxy-3-(1,3-thiazol-4-yl)benzoic acid is COc1ccc(C(=O)O)cc1-c1cscn1.
What is the InChIKey of 4-methoxy-3-(1,3-thiazol-4-yl)benzoic acid?
The InChIKey is GTQUDFZGERNZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3S/c1-15-10-3-2-7(11(13)14)4-8(10)9-5-16-6-12-9/h2-6H,1H3,(H,13,14).
What are the key properties of 4-methoxy-3-(1,3-thiazol-4-yl)benzoic acid?
4-methoxy-3-(1,3-thiazol-4-yl)benzoic acid has a molecular weight of 235.26 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(1,3-thiazol-4-yl)benzoic acid is sourced from PubChem (CID 97033863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).