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

C11H16N2O4S — CID 82441955

IUPAC2-[4-(methoxymethyl)-2-morpholin-4-yl-1,3-thiazol-5-yl]acetic acid
SMILESCOCc1nc(N2CCOCC2)sc1CC(=O)O
InChIInChI=1S/C11H16N2O4S/c1-16-7-8-9(6-10(14)15)18-11(12-8)13-2-4-17-5-3-13/h2-7H2,1H3,(H,14,15)
InChIKeyJEQYYHACSDZGPD-UHFFFAOYSA-N
MW272.33 g/mol
LogP0.75
Rot. Bonds5

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

2-[4-(methoxymethyl)-2-morpholin-4-yl-1,3-thiazol-5-yl]acetic acid (PubChem CID 82441955) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is 2-[4-(methoxymethyl)-2-morpholin-4-yl-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(methoxymethyl)-2-morpholin-4-yl-1,3-thiazol-5-yl]acetic acid
PubChem CID82441955
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Name2-[4-(methoxymethyl)-2-morpholin-4-yl-1,3-thiazol-5-yl]acetic acid
SMILESCOCc1nc(N2CCOCC2)sc1CC(=O)O
InChIInChI=1S/C11H16N2O4S/c1-16-7-8-9(6-10(14)15)18-11(12-8)13-2-4-17-5-3-13/h2-7H2,1H3,(H,14,15)
InChIKeyJEQYYHACSDZGPD-UHFFFAOYSA-N
XLogP0.75
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-(methoxymethyl)-2-morpholin-4-yl-1,3-thiazol-5-yl]propanoic acid
CID 82441961
2-[4-(methoxymethyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]acetic acid
CID 82441915
2-[4-(methoxymethyl)-2-(morpholin-4-ylmethyl)-1,3-thiazol-5-yl]acetic acid
CID 82441563
N-[[4-(methoxymethyl)-2-morpholin-4-yl-1,3-thiazol-5-yl]methyl]ethanamine
CID 82441943
4-(methoxymethyl)-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
CID 82441963
3-(4-ethyl-2-morpholin-4-yl-1,3-thiazol-5-yl)propanoic acid
CID 82431077
2-(2-morpholin-4-yl-1,3-thiazol-5-yl)acetic acid
CID 82374896
3-(4-tert-butyl-2-morpholin-4-yl-1,3-thiazol-5-yl)propanoic acid
CID 82439738
[4-(methoxymethyl)-2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methanamine
CID 107510048
2-(4,4-diethylpiperidin-1-yl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 107509379
2-(2,6-dimethylmorpholin-4-yl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 107509221
3-(4-cyclopropyl-2-morpholin-4-yl-1,3-thiazol-5-yl)propanoic acid
CID 82438113

Frequently Asked Questions

What is the IUPAC name of 2-[4-(methoxymethyl)-2-morpholin-4-yl-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[4-(methoxymethyl)-2-morpholin-4-yl-1,3-thiazol-5-yl]acetic acid (CID 82441955) is 2-[4-(methoxymethyl)-2-morpholin-4-yl-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[4-(methoxymethyl)-2-morpholin-4-yl-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[4-(methoxymethyl)-2-morpholin-4-yl-1,3-thiazol-5-yl]acetic acid is COCc1nc(N2CCOCC2)sc1CC(=O)O.
What is the InChIKey of 2-[4-(methoxymethyl)-2-morpholin-4-yl-1,3-thiazol-5-yl]acetic acid?
The InChIKey is JEQYYHACSDZGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-16-7-8-9(6-10(14)15)18-11(12-8)13-2-4-17-5-3-13/h2-7H2,1H3,(H,14,15).
What are the key properties of 2-[4-(methoxymethyl)-2-morpholin-4-yl-1,3-thiazol-5-yl]acetic acid?
2-[4-(methoxymethyl)-2-morpholin-4-yl-1,3-thiazol-5-yl]acetic acid has a molecular weight of 272.33 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methoxymethyl)-2-morpholin-4-yl-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 82441955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).