4-(methoxymethyl)-2-[3-(methoxymethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid

C13H20N2O4S — CID 107509470

IUPAC4-(methoxymethyl)-2-[3-(methoxymethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid
SMILESCOCc1nc(N2CCCC(COC)C2)sc1C(=O)O
InChIInChI=1S/C13H20N2O4S/c1-18-7-9-4-3-5-15(6-9)13-14-10(8-19-2)11(20-13)12(16)17/h9H,3-8H2,1-2H3,(H,16,17)
InChIKeyVRCPYDFQRGMRBF-UHFFFAOYSA-N
MW300.38 g/mol
LogP1.85
Rot. Bonds6

About 4-(methoxymethyl)-2-[3-(methoxymethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid

4-(methoxymethyl)-2-[3-(methoxymethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid (PubChem CID 107509470) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is 4-(methoxymethyl)-2-[3-(methoxymethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(methoxymethyl)-2-[3-(methoxymethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid
PubChem CID107509470
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Name4-(methoxymethyl)-2-[3-(methoxymethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid
SMILESCOCc1nc(N2CCCC(COC)C2)sc1C(=O)O
InChIInChI=1S/C13H20N2O4S/c1-18-7-9-4-3-5-15(6-9)13-14-10(8-19-2)11(20-13)12(16)17/h9H,3-8H2,1-2H3,(H,16,17)
InChIKeyVRCPYDFQRGMRBF-UHFFFAOYSA-N
XLogP1.85
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-2-[3-(methoxymethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid
CID 106587519
4-cyclopropyl-2-[3-(methoxymethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid
CID 106589586
4-(methoxymethyl)-2-(4-propylazepan-1-yl)-1,3-thiazole-5-carboxylic acid
CID 107509406
2-[3-(diethylamino)pyrrolidin-1-yl]-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 107509382
4-(methoxymethyl)-2-(2-methylthiomorpholin-4-yl)-1,3-thiazole-5-carboxylic acid
CID 107509450
2-(2,6-dimethylmorpholin-4-yl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 107509221
2-[4-[(dimethylamino)methyl]piperidin-1-yl]-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 107509303
2-(4,4-diethylpiperidin-1-yl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 107509379
2-[3-(methoxymethyl)pyrrolidin-1-yl]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 79392565
4-(methoxymethyl)-2-(2-methylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid
CID 107509219
2-(3,3-dimethylpyrrolidin-1-yl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 107509431
methyl 2-(3-ethylpiperidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylate
CID 80570547

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-2-[3-(methoxymethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-(methoxymethyl)-2-[3-(methoxymethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid (CID 107509470) is 4-(methoxymethyl)-2-[3-(methoxymethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-(methoxymethyl)-2-[3-(methoxymethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-(methoxymethyl)-2-[3-(methoxymethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid is COCc1nc(N2CCCC(COC)C2)sc1C(=O)O.
What is the InChIKey of 4-(methoxymethyl)-2-[3-(methoxymethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid?
The InChIKey is VRCPYDFQRGMRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-18-7-9-4-3-5-15(6-9)13-14-10(8-19-2)11(20-13)12(16)17/h9H,3-8H2,1-2H3,(H,16,17).
What are the key properties of 4-(methoxymethyl)-2-[3-(methoxymethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid?
4-(methoxymethyl)-2-[3-(methoxymethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid has a molecular weight of 300.38 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-2-[3-(methoxymethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 107509470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).