4-(4,5-dimethyl-1,3-thiazol-2-yl)morpholine-2-carboxylic acid

C10H14N2O3S — CID 65169198

IUPAC4-(4,5-dimethyl-1,3-thiazol-2-yl)morpholine-2-carboxylic acid
SMILESCc1nc(N2CCOC(C(=O)O)C2)sc1C
InChIInChI=1S/C10H14N2O3S/c1-6-7(2)16-10(11-6)12-3-4-15-8(5-12)9(13)14/h8H,3-5H2,1-2H3,(H,13,14)
InChIKeyACXAAGLCEUOKGG-UHFFFAOYSA-N
MW242.30 g/mol
LogP1.05
Rot. Bonds2

About 4-(4,5-dimethyl-1,3-thiazol-2-yl)morpholine-2-carboxylic acid

4-(4,5-dimethyl-1,3-thiazol-2-yl)morpholine-2-carboxylic acid (PubChem CID 65169198) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is 4-(4,5-dimethyl-1,3-thiazol-2-yl)morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-(4,5-dimethyl-1,3-thiazol-2-yl)morpholine-2-carboxylic acid
PubChem CID65169198
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Name4-(4,5-dimethyl-1,3-thiazol-2-yl)morpholine-2-carboxylic acid
SMILESCc1nc(N2CCOC(C(=O)O)C2)sc1C
InChIInChI=1S/C10H14N2O3S/c1-6-7(2)16-10(11-6)12-3-4-15-8(5-12)9(13)14/h8H,3-5H2,1-2H3,(H,13,14)
InChIKeyACXAAGLCEUOKGG-UHFFFAOYSA-N
XLogP1.05
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dimethyl-1,3-thiazol-2-yl)morpholine-2-carboxylic acid?
The IUPAC name of 4-(4,5-dimethyl-1,3-thiazol-2-yl)morpholine-2-carboxylic acid (CID 65169198) is 4-(4,5-dimethyl-1,3-thiazol-2-yl)morpholine-2-carboxylic acid.
What is the SMILES notation for 4-(4,5-dimethyl-1,3-thiazol-2-yl)morpholine-2-carboxylic acid?
The canonical SMILES for 4-(4,5-dimethyl-1,3-thiazol-2-yl)morpholine-2-carboxylic acid is Cc1nc(N2CCOC(C(=O)O)C2)sc1C.
What is the InChIKey of 4-(4,5-dimethyl-1,3-thiazol-2-yl)morpholine-2-carboxylic acid?
The InChIKey is ACXAAGLCEUOKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-6-7(2)16-10(11-6)12-3-4-15-8(5-12)9(13)14/h8H,3-5H2,1-2H3,(H,13,14).
What are the key properties of 4-(4,5-dimethyl-1,3-thiazol-2-yl)morpholine-2-carboxylic acid?
4-(4,5-dimethyl-1,3-thiazol-2-yl)morpholine-2-carboxylic acid has a molecular weight of 242.30 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dimethyl-1,3-thiazol-2-yl)morpholine-2-carboxylic acid is sourced from PubChem (CID 65169198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).