4-[(2,5-dimethylmorpholin-4-yl)methyl]-1,3-thiazole-2-carboxylic acid

C11H16N2O3S — CID 43664651

IUPAC4-[(2,5-dimethylmorpholin-4-yl)methyl]-1,3-thiazole-2-carboxylic acid
SMILESCC1CN(Cc2csc(C(=O)O)n2)C(C)CO1
InChIInChI=1S/C11H16N2O3S/c1-7-5-16-8(2)3-13(7)4-9-6-17-10(12-9)11(14)15/h6-8H,3-5H2,1-2H3,(H,14,15)
InChIKeyPDIQSQPIXINJEJ-UHFFFAOYSA-N
MW256.33 g/mol
LogP1.45
Rot. Bonds3

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

4-[(2,5-dimethylmorpholin-4-yl)methyl]-1,3-thiazole-2-carboxylic acid (PubChem CID 43664651) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 4-[(2,5-dimethylmorpholin-4-yl)methyl]-1,3-thiazole-2-carboxylic acid.

Molecular Properties

Compound Name4-[(2,5-dimethylmorpholin-4-yl)methyl]-1,3-thiazole-2-carboxylic acid
PubChem CID43664651
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name4-[(2,5-dimethylmorpholin-4-yl)methyl]-1,3-thiazole-2-carboxylic acid
SMILESCC1CN(Cc2csc(C(=O)O)n2)C(C)CO1
InChIInChI=1S/C11H16N2O3S/c1-7-5-16-8(2)3-13(7)4-9-6-17-10(12-9)11(14)15/h6-8H,3-5H2,1-2H3,(H,14,15)
InChIKeyPDIQSQPIXINJEJ-UHFFFAOYSA-N
XLogP1.45
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,5S)-2,5-dimethyl-4-[(2-propyl-1,3-thiazol-4-yl)methyl]morpholine
CID 94066345
2-[4-[[(2R,5S)-2,5-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 99106971
5-[(2,5-dimethylmorpholin-4-yl)methyl]-1,2-oxazole-3-carboxylic acid
CID 61397972
4-[(2-ethylpyrrolidin-1-yl)methyl]-1,3-thiazole-2-carboxylic acid
CID 60973649
(2R,5R)-4-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-2,5-dimethylmorpholine
CID 95160165
4-(azetidin-1-ylmethyl)-1,3-thiazole-2-carboxylic acid
CID 130547609
4-[(2-ethylazepan-1-yl)methyl]-1,3-thiazole-2-carboxylic acid
CID 104690534
4-[(2-methylmorpholin-4-yl)methyl]-1,3-thiazole-2-carbohydrazide
CID 63568492
4-[[2-(methylcarbamoyl)pyrrolidin-1-yl]methyl]-1,3-thiazole-2-carboxylic acid
CID 54986265
(2S,5R)-2,5-dimethyl-4-[(5-methyl-1,2-oxazol-3-yl)methyl]morpholine
CID 100569695
4-ethyl-1,3-thiazole-2-carboxylic acid
CID 39235458
4-[(3-methoxypyrrolidin-1-yl)methyl]-1,3-thiazole-2-carboxylic acid
CID 103535120

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dimethylmorpholin-4-yl)methyl]-1,3-thiazole-2-carboxylic acid?
The IUPAC name of 4-[(2,5-dimethylmorpholin-4-yl)methyl]-1,3-thiazole-2-carboxylic acid (CID 43664651) is 4-[(2,5-dimethylmorpholin-4-yl)methyl]-1,3-thiazole-2-carboxylic acid.
What is the SMILES notation for 4-[(2,5-dimethylmorpholin-4-yl)methyl]-1,3-thiazole-2-carboxylic acid?
The canonical SMILES for 4-[(2,5-dimethylmorpholin-4-yl)methyl]-1,3-thiazole-2-carboxylic acid is CC1CN(Cc2csc(C(=O)O)n2)C(C)CO1.
What is the InChIKey of 4-[(2,5-dimethylmorpholin-4-yl)methyl]-1,3-thiazole-2-carboxylic acid?
The InChIKey is PDIQSQPIXINJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-7-5-16-8(2)3-13(7)4-9-6-17-10(12-9)11(14)15/h6-8H,3-5H2,1-2H3,(H,14,15).
What are the key properties of 4-[(2,5-dimethylmorpholin-4-yl)methyl]-1,3-thiazole-2-carboxylic acid?
4-[(2,5-dimethylmorpholin-4-yl)methyl]-1,3-thiazole-2-carboxylic acid has a molecular weight of 256.33 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dimethylmorpholin-4-yl)methyl]-1,3-thiazole-2-carboxylic acid is sourced from PubChem (CID 43664651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).