6-[2-[3-methoxy-4-(methoxymethyl)phenyl]-1,3-thiazol-4-yl]pyridine-2-carboxylic acid

C18H16N2O4S — CID 139841739

IUPAC6-[2-[3-methoxy-4-(methoxymethyl)phenyl]-1,3-thiazol-4-yl]pyridine-2-carboxylic acid
SMILESCOCc1ccc(-c2nc(-c3cccc(C(=O)O)n3)cs2)cc1OC
InChIInChI=1S/C18H16N2O4S/c1-23-9-12-7-6-11(8-16(12)24-2)17-20-15(10-25-17)13-4-3-5-14(19-13)18(21)22/h3-8,10H,9H2,1-2H3,(H,21,22)
InChIKeyCLTKWTSDHJGQAC-UHFFFAOYSA-N
MW356.40 g/mol
LogP3.73
Rot. Bonds6

About 6-[2-[3-methoxy-4-(methoxymethyl)phenyl]-1,3-thiazol-4-yl]pyridine-2-carboxylic acid

6-[2-[3-methoxy-4-(methoxymethyl)phenyl]-1,3-thiazol-4-yl]pyridine-2-carboxylic acid (PubChem CID 139841739) has the molecular formula C18H16N2O4S and a molecular weight of 356.40 g/mol. Its IUPAC name is 6-[2-[3-methoxy-4-(methoxymethyl)phenyl]-1,3-thiazol-4-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[2-[3-methoxy-4-(methoxymethyl)phenyl]-1,3-thiazol-4-yl]pyridine-2-carboxylic acid
PubChem CID139841739
Molecular FormulaC18H16N2O4S
Molecular Weight356.40 g/mol
Exact Mass356.08
IUPAC Name6-[2-[3-methoxy-4-(methoxymethyl)phenyl]-1,3-thiazol-4-yl]pyridine-2-carboxylic acid
SMILESCOCc1ccc(-c2nc(-c3cccc(C(=O)O)n3)cs2)cc1OC
InChIInChI=1S/C18H16N2O4S/c1-23-9-12-7-6-11(8-16(12)24-2)17-20-15(10-25-17)13-4-3-5-14(19-13)18(21)22/h3-8,10H,9H2,1-2H3,(H,21,22)
InChIKeyCLTKWTSDHJGQAC-UHFFFAOYSA-N
XLogP3.73
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N,N-dimethylpyridine-2-carboxamide
CID 142633358
6-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-N-hydroxypyridine-2-carboxamide
CID 19041077
4-amino-6-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]pyridine-2-carboxylic acid
CID 19041052
2-(3,4-dimethoxyphenyl)-4-phenyl-1,3-thiazole
CID 1147052
6-(3-hydroxy-4-methoxyphenyl)pyridine-2-carboxylic acid
CID 141058986
2-methoxy-5-(2-phenyl-1,3-thiazol-4-yl)benzoic acid
CID 18707150
2-(3,4-dimethoxyphenyl)-4-pyridin-2-yl-1,3-thiazole
CID 18707182
2-[4-[2-(2,3-dimethylphenoxy)ethoxy]-3-methoxyphenyl]-1,3-thiazole-4-carboxylic acid
CID 20991099
2-methoxy-1-(2-phenyl-1,3-thiazol-4-yl)ethanone
CID 130375597
2-[2-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-1,3-thiazol-4-yl]acetic acid
CID 4874786
6-(3-ethyl-4-phenylmethoxyphenyl)pyridine-2-carboxylic acid
CID 174420705
2-(3,4-dimethoxyphenyl)-4-(2-methoxyphenyl)-1,3-thiazole
CID 9452291

Frequently Asked Questions

What is the IUPAC name of 6-[2-[3-methoxy-4-(methoxymethyl)phenyl]-1,3-thiazol-4-yl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[2-[3-methoxy-4-(methoxymethyl)phenyl]-1,3-thiazol-4-yl]pyridine-2-carboxylic acid (CID 139841739) is 6-[2-[3-methoxy-4-(methoxymethyl)phenyl]-1,3-thiazol-4-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[2-[3-methoxy-4-(methoxymethyl)phenyl]-1,3-thiazol-4-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[2-[3-methoxy-4-(methoxymethyl)phenyl]-1,3-thiazol-4-yl]pyridine-2-carboxylic acid is COCc1ccc(-c2nc(-c3cccc(C(=O)O)n3)cs2)cc1OC.
What is the InChIKey of 6-[2-[3-methoxy-4-(methoxymethyl)phenyl]-1,3-thiazol-4-yl]pyridine-2-carboxylic acid?
The InChIKey is CLTKWTSDHJGQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4S/c1-23-9-12-7-6-11(8-16(12)24-2)17-20-15(10-25-17)13-4-3-5-14(19-13)18(21)22/h3-8,10H,9H2,1-2H3,(H,21,22).
What are the key properties of 6-[2-[3-methoxy-4-(methoxymethyl)phenyl]-1,3-thiazol-4-yl]pyridine-2-carboxylic acid?
6-[2-[3-methoxy-4-(methoxymethyl)phenyl]-1,3-thiazol-4-yl]pyridine-2-carboxylic acid has a molecular weight of 356.40 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[3-methoxy-4-(methoxymethyl)phenyl]-1,3-thiazol-4-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 139841739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).