2-[4-(methoxymethyl)-2-pyridin-4-yl-1,3-thiazol-5-yl]acetic acid

C12H12N2O3S — CID 82440343

IUPAC2-[4-(methoxymethyl)-2-pyridin-4-yl-1,3-thiazol-5-yl]acetic acid
SMILESCOCc1nc(-c2ccncc2)sc1CC(=O)O
InChIInChI=1S/C12H12N2O3S/c1-17-7-9-10(6-11(15)16)18-12(14-9)8-2-4-13-5-3-8/h2-5H,6-7H2,1H3,(H,15,16)
InChIKeyBMPSNLNYYUMLMR-UHFFFAOYSA-N
MW264.31 g/mol
LogP1.98
Rot. Bonds5

About 2-[4-(methoxymethyl)-2-pyridin-4-yl-1,3-thiazol-5-yl]acetic acid

2-[4-(methoxymethyl)-2-pyridin-4-yl-1,3-thiazol-5-yl]acetic acid (PubChem CID 82440343) has the molecular formula C12H12N2O3S and a molecular weight of 264.31 g/mol. Its IUPAC name is 2-[4-(methoxymethyl)-2-pyridin-4-yl-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(methoxymethyl)-2-pyridin-4-yl-1,3-thiazol-5-yl]acetic acid
PubChem CID82440343
Molecular FormulaC12H12N2O3S
Molecular Weight264.31 g/mol
Exact Mass264.06
IUPAC Name2-[4-(methoxymethyl)-2-pyridin-4-yl-1,3-thiazol-5-yl]acetic acid
SMILESCOCc1nc(-c2ccncc2)sc1CC(=O)O
InChIInChI=1S/C12H12N2O3S/c1-17-7-9-10(6-11(15)16)18-12(14-9)8-2-4-13-5-3-8/h2-5H,6-7H2,1H3,(H,15,16)
InChIKeyBMPSNLNYYUMLMR-UHFFFAOYSA-N
XLogP1.98
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(methoxymethyl)-2-pyridin-4-yl-1,3-thiazole-5-carboxylic acid
CID 82227122
3-[4-(methoxymethyl)-2-(3-methylphenyl)-1,3-thiazol-5-yl]propanoic acid
CID 82440255
4-[5-(aminomethyl)-4-(methoxymethyl)-1,3-thiazol-2-yl]phenol
CID 136889279
2-[2-(2-methoxyethyl)-4-pyridin-4-yl-1,3-thiazol-5-yl]acetic acid
CID 82069351
3-[4-(methoxymethyl)-2-pyrazin-2-yl-1,3-thiazol-5-yl]propanoic acid
CID 82441990
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-ethoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
CID 82441217
[2-(3,4-dimethoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
CID 82441267
2-[4-(methoxymethyl)-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]acetic acid
CID 82440694
2-[4-(methoxymethyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]acetic acid
CID 82441915
N-[[2-(4-fluorophenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114366189

Frequently Asked Questions

What is the IUPAC name of 2-[4-(methoxymethyl)-2-pyridin-4-yl-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[4-(methoxymethyl)-2-pyridin-4-yl-1,3-thiazol-5-yl]acetic acid (CID 82440343) is 2-[4-(methoxymethyl)-2-pyridin-4-yl-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[4-(methoxymethyl)-2-pyridin-4-yl-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[4-(methoxymethyl)-2-pyridin-4-yl-1,3-thiazol-5-yl]acetic acid is COCc1nc(-c2ccncc2)sc1CC(=O)O.
What is the InChIKey of 2-[4-(methoxymethyl)-2-pyridin-4-yl-1,3-thiazol-5-yl]acetic acid?
The InChIKey is BMPSNLNYYUMLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3S/c1-17-7-9-10(6-11(15)16)18-12(14-9)8-2-4-13-5-3-8/h2-5H,6-7H2,1H3,(H,15,16).
What are the key properties of 2-[4-(methoxymethyl)-2-pyridin-4-yl-1,3-thiazol-5-yl]acetic acid?
2-[4-(methoxymethyl)-2-pyridin-4-yl-1,3-thiazol-5-yl]acetic acid has a molecular weight of 264.31 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methoxymethyl)-2-pyridin-4-yl-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 82440343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).