4-(methoxymethyl)-2-pyridin-4-yl-1,3-thiazole-5-carboxylic acid

C11H10N2O3S — CID 82227122

IUPAC4-(methoxymethyl)-2-pyridin-4-yl-1,3-thiazole-5-carboxylic acid
SMILESCOCc1nc(-c2ccncc2)sc1C(=O)O
InChIInChI=1S/C11H10N2O3S/c1-16-6-8-9(11(14)15)17-10(13-8)7-2-4-12-5-3-7/h2-5H,6H2,1H3,(H,14,15)
InChIKeyDMNZUELLOQQWJH-UHFFFAOYSA-N
MW250.28 g/mol
LogP2.05
Rot. Bonds4

About 4-(methoxymethyl)-2-pyridin-4-yl-1,3-thiazole-5-carboxylic acid

4-(methoxymethyl)-2-pyridin-4-yl-1,3-thiazole-5-carboxylic acid (PubChem CID 82227122) has the molecular formula C11H10N2O3S and a molecular weight of 250.28 g/mol. Its IUPAC name is 4-(methoxymethyl)-2-pyridin-4-yl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(methoxymethyl)-2-pyridin-4-yl-1,3-thiazole-5-carboxylic acid
PubChem CID82227122
Molecular FormulaC11H10N2O3S
Molecular Weight250.28 g/mol
Exact Mass250.04
IUPAC Name4-(methoxymethyl)-2-pyridin-4-yl-1,3-thiazole-5-carboxylic acid
SMILESCOCc1nc(-c2ccncc2)sc1C(=O)O
InChIInChI=1S/C11H10N2O3S/c1-16-6-8-9(11(14)15)17-10(13-8)7-2-4-12-5-3-7/h2-5H,6H2,1H3,(H,14,15)
InChIKeyDMNZUELLOQQWJH-UHFFFAOYSA-N
XLogP2.05
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-aminophenyl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 114358831
2-(4-bromophenyl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 114359955
2-[4-(methoxymethyl)-2-pyridin-4-yl-1,3-thiazol-5-yl]acetic acid
CID 82440343
4-(methoxymethyl)-2-(1,3-thiazol-4-yl)-1,3-thiazole-5-carboxylic acid
CID 114359943
2-(1,3-benzodioxol-5-yl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 114360789
4-(methoxymethyl)-2-[2-(methoxymethyl)phenyl]-1,3-thiazole-5-carboxylic acid
CID 114360750
2-(4-bromothiophen-2-yl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 114360066
2-isoquinolin-1-yl-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 114359989
2-(4-chlorothiophen-2-yl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 114360752
2-isoquinolin-4-yl-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 114360810
methyl 2-(4-bromophenyl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylate
CID 114374866
4-(methoxymethyl)-2-(4-methoxyphenyl)-1,3-thiazole-5-carbohydrazide
CID 82441216

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-2-pyridin-4-yl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-(methoxymethyl)-2-pyridin-4-yl-1,3-thiazole-5-carboxylic acid (CID 82227122) is 4-(methoxymethyl)-2-pyridin-4-yl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-(methoxymethyl)-2-pyridin-4-yl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-(methoxymethyl)-2-pyridin-4-yl-1,3-thiazole-5-carboxylic acid is COCc1nc(-c2ccncc2)sc1C(=O)O.
What is the InChIKey of 4-(methoxymethyl)-2-pyridin-4-yl-1,3-thiazole-5-carboxylic acid?
The InChIKey is DMNZUELLOQQWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3S/c1-16-6-8-9(11(14)15)17-10(13-8)7-2-4-12-5-3-7/h2-5H,6H2,1H3,(H,14,15).
What are the key properties of 4-(methoxymethyl)-2-pyridin-4-yl-1,3-thiazole-5-carboxylic acid?
4-(methoxymethyl)-2-pyridin-4-yl-1,3-thiazole-5-carboxylic acid has a molecular weight of 250.28 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-2-pyridin-4-yl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 82227122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).