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

C10H14N2O3S — CID 43664584

IUPAC4-[(2-methylmorpholin-4-yl)methyl]-1,3-thiazole-2-carboxylic acid
SMILESCC1CN(Cc2csc(C(=O)O)n2)CCO1
InChIInChI=1S/C10H14N2O3S/c1-7-4-12(2-3-15-7)5-8-6-16-9(11-8)10(13)14/h6-7H,2-5H2,1H3,(H,13,14)
InChIKeyICFYOKMHYQWJNG-UHFFFAOYSA-N
MW242.30 g/mol
LogP1.06
Rot. Bonds3

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

4-[(2-methylmorpholin-4-yl)methyl]-1,3-thiazole-2-carboxylic acid (PubChem CID 43664584) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is 4-[(2-methylmorpholin-4-yl)methyl]-1,3-thiazole-2-carboxylic acid.

Molecular Properties

Compound Name4-[(2-methylmorpholin-4-yl)methyl]-1,3-thiazole-2-carboxylic acid
PubChem CID43664584
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Name4-[(2-methylmorpholin-4-yl)methyl]-1,3-thiazole-2-carboxylic acid
SMILESCC1CN(Cc2csc(C(=O)O)n2)CCO1
InChIInChI=1S/C10H14N2O3S/c1-7-4-12(2-3-15-7)5-8-6-16-9(11-8)10(13)14/h6-7H,2-5H2,1H3,(H,13,14)
InChIKeyICFYOKMHYQWJNG-UHFFFAOYSA-N
XLogP1.06
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylmorpholin-4-yl)methyl]-1,3-thiazole-2-carboxylic acid?
The IUPAC name of 4-[(2-methylmorpholin-4-yl)methyl]-1,3-thiazole-2-carboxylic acid (CID 43664584) is 4-[(2-methylmorpholin-4-yl)methyl]-1,3-thiazole-2-carboxylic acid.
What is the SMILES notation for 4-[(2-methylmorpholin-4-yl)methyl]-1,3-thiazole-2-carboxylic acid?
The canonical SMILES for 4-[(2-methylmorpholin-4-yl)methyl]-1,3-thiazole-2-carboxylic acid is CC1CN(Cc2csc(C(=O)O)n2)CCO1.
What is the InChIKey of 4-[(2-methylmorpholin-4-yl)methyl]-1,3-thiazole-2-carboxylic acid?
The InChIKey is ICFYOKMHYQWJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-7-4-12(2-3-15-7)5-8-6-16-9(11-8)10(13)14/h6-7H,2-5H2,1H3,(H,13,14).
What are the key properties of 4-[(2-methylmorpholin-4-yl)methyl]-1,3-thiazole-2-carboxylic acid?
4-[(2-methylmorpholin-4-yl)methyl]-1,3-thiazole-2-carboxylic acid has a molecular weight of 242.30 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylmorpholin-4-yl)methyl]-1,3-thiazole-2-carboxylic acid is sourced from PubChem (CID 43664584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).