2-(2,6-dimethylmorpholin-4-yl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid

C12H18N2O4S — CID 107509221

IUPAC2-(2,6-dimethylmorpholin-4-yl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
SMILESCOCc1nc(N2CC(C)OC(C)C2)sc1C(=O)O
InChIInChI=1S/C12H18N2O4S/c1-7-4-14(5-8(2)18-7)12-13-9(6-17-3)10(19-12)11(15)16/h7-8H,4-6H2,1-3H3,(H,15,16)
InChIKeyYQSOJNRIDRBLNL-UHFFFAOYSA-N
MW286.35 g/mol
LogP1.60
Rot. Bonds4

About 2-(2,6-dimethylmorpholin-4-yl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid

2-(2,6-dimethylmorpholin-4-yl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 107509221) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is 2-(2,6-dimethylmorpholin-4-yl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2,6-dimethylmorpholin-4-yl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
PubChem CID107509221
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Name2-(2,6-dimethylmorpholin-4-yl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
SMILESCOCc1nc(N2CC(C)OC(C)C2)sc1C(=O)O
InChIInChI=1S/C12H18N2O4S/c1-7-4-14(5-8(2)18-7)12-13-9(6-17-3)10(19-12)11(15)16/h7-8H,4-6H2,1-3H3,(H,15,16)
InChIKeyYQSOJNRIDRBLNL-UHFFFAOYSA-N
XLogP1.60
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(methoxymethyl)-2-(2-methylthiomorpholin-4-yl)-1,3-thiazole-5-carboxylic acid
CID 107509450
4-(methoxymethyl)-2-[3-(methoxymethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid
CID 107509470
2-[3-(diethylamino)pyrrolidin-1-yl]-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 107509382
2-(4,4-diethylpiperidin-1-yl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 107509379
2-(3,3-dimethylpyrrolidin-1-yl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 107509431
4-tert-butyl-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-thiazole-5-carboxylic acid
CID 104961192
4-tert-butyl-2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazole-5-carboxylic acid
CID 62765613
4-(methoxymethyl)-2-(2-methylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid
CID 107509219
2-[4-[(dimethylamino)methyl]piperidin-1-yl]-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 107509303
4-(methoxymethyl)-2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid
CID 107509457
4-(methoxymethyl)-2-(4-propylazepan-1-yl)-1,3-thiazole-5-carboxylic acid
CID 107509406
4-(methoxymethyl)-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
CID 82441963

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylmorpholin-4-yl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(2,6-dimethylmorpholin-4-yl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid (CID 107509221) is 2-(2,6-dimethylmorpholin-4-yl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(2,6-dimethylmorpholin-4-yl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(2,6-dimethylmorpholin-4-yl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid is COCc1nc(N2CC(C)OC(C)C2)sc1C(=O)O.
What is the InChIKey of 2-(2,6-dimethylmorpholin-4-yl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is YQSOJNRIDRBLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-7-4-14(5-8(2)18-7)12-13-9(6-17-3)10(19-12)11(15)16/h7-8H,4-6H2,1-3H3,(H,15,16).
What are the key properties of 2-(2,6-dimethylmorpholin-4-yl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid?
2-(2,6-dimethylmorpholin-4-yl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 286.35 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylmorpholin-4-yl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 107509221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).