4-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid

C11H14N2O5S — CID 119216541

IUPAC4-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid
SMILESCOCc1nc(C(=O)N2CCOCC2C(=O)O)cs1
InChIInChI=1S/C11H14N2O5S/c1-17-5-9-12-7(6-19-9)10(14)13-2-3-18-4-8(13)11(15)16/h6,8H,2-5H2,1H3,(H,15,16)
InChIKeySEQONIDAIDBPHE-UHFFFAOYSA-N
MW286.31 g/mol
LogP0.22
Rot. Bonds4

About 4-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid

4-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid (PubChem CID 119216541) has the molecular formula C11H14N2O5S and a molecular weight of 286.31 g/mol. Its IUPAC name is 4-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid
PubChem CID119216541
Molecular FormulaC11H14N2O5S
Molecular Weight286.31 g/mol
Exact Mass286.06
IUPAC Name4-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid
SMILESCOCc1nc(C(=O)N2CCOCC2C(=O)O)cs1
InChIInChI=1S/C11H14N2O5S/c1-17-5-9-12-7(6-19-9)10(14)13-2-3-18-4-8(13)11(15)16/h6,8H,2-5H2,1H3,(H,15,16)
InChIKeySEQONIDAIDBPHE-UHFFFAOYSA-N
XLogP0.22
TPSA88.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-1-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 119365625
[2-(methoxymethyl)-1,3-thiazol-4-yl]-[(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]methanone
CID 167849425
4-[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid
CID 119216233
(3S)-4-[2-(4-ethoxyphenyl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid
CID 125150030
(3R)-4-[3-(methoxymethyl)benzoyl]morpholine-3-carboxylic acid
CID 124513663
(3S)-4-[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid
CID 125133089
[(3R,4S)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone
CID 97026755
(3R)-4-[2-(2,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid
CID 125119411
4-[2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid
CID 119215956
(3S)-4-(4-methoxythiophene-2-carbonyl)morpholine-3-carboxylic acid
CID 124596115
4-[2-(1,3-benzodioxol-5-yl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid
CID 119216582
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(3-ethylmorpholin-4-yl)methanone
CID 66390207

Frequently Asked Questions

What is the IUPAC name of 4-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid?
The IUPAC name of 4-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid (CID 119216541) is 4-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid.
What is the SMILES notation for 4-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid?
The canonical SMILES for 4-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid is COCc1nc(C(=O)N2CCOCC2C(=O)O)cs1.
What is the InChIKey of 4-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid?
The InChIKey is SEQONIDAIDBPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5S/c1-17-5-9-12-7(6-19-9)10(14)13-2-3-18-4-8(13)11(15)16/h6,8H,2-5H2,1H3,(H,15,16).
What are the key properties of 4-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid?
4-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid has a molecular weight of 286.31 g/mol, XLogP of 0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 119216541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).