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

C11H15N3O4S — CID 66389919

IUPAC4-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]morpholine-2-carboxylic acid
SMILESCC(N)c1nc(C(=O)N2CCOC(C(=O)O)C2)cs1
InChIInChI=1S/C11H15N3O4S/c1-6(12)9-13-7(5-19-9)10(15)14-2-3-18-8(4-14)11(16)17/h5-6,8H,2-4,12H2,1H3,(H,16,17)
InChIKeyAJKFGSPZWSUIGH-UHFFFAOYSA-N
MW285.32 g/mol
LogP0.09
Rot. Bonds3

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

4-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]morpholine-2-carboxylic acid (PubChem CID 66389919) has the molecular formula C11H15N3O4S and a molecular weight of 285.32 g/mol. Its IUPAC name is 4-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]morpholine-2-carboxylic acid
PubChem CID66389919
Molecular FormulaC11H15N3O4S
Molecular Weight285.32 g/mol
Exact Mass285.08
IUPAC Name4-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]morpholine-2-carboxylic acid
SMILESCC(N)c1nc(C(=O)N2CCOC(C(=O)O)C2)cs1
InChIInChI=1S/C11H15N3O4S/c1-6(12)9-13-7(5-19-9)10(15)14-2-3-18-8(4-14)11(16)17/h5-6,8H,2-4,12H2,1H3,(H,16,17)
InChIKeyAJKFGSPZWSUIGH-UHFFFAOYSA-N
XLogP0.09
TPSA105.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(3-hydroxyazetidin-1-yl)methanone
CID 107217663
4-[2-[(4-methylphenyl)methyl]-1,3-thiazole-4-carbonyl]morpholine-2-carboxylic acid
CID 120526092
(2R)-4-[2-(2-phenylethyl)-1,3-thiazole-4-carbonyl]morpholine-2-carboxylic acid
CID 129415652
[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103495456
[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 3773363
[2-(1-aminoethyl)-1,3-thiazol-4-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 66389634
[2-(1-aminoethyl)morpholin-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 81484968
[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(3-methoxy-4-methylpiperidin-1-yl)methanone
CID 102957497
7-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79091741
[(2R)-2-benzylmorpholin-4-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone
CID 42392462
methyl 4-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]piperazine-1-carboxylate
CID 66388535
(3R)-1-(2-propan-2-yl-1,3-thiazole-4-carbonyl)piperidine-3-carboxylic acid
CID 99638878

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]morpholine-2-carboxylic acid?
The IUPAC name of 4-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]morpholine-2-carboxylic acid (CID 66389919) is 4-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]morpholine-2-carboxylic acid.
What is the SMILES notation for 4-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]morpholine-2-carboxylic acid?
The canonical SMILES for 4-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]morpholine-2-carboxylic acid is CC(N)c1nc(C(=O)N2CCOC(C(=O)O)C2)cs1.
What is the InChIKey of 4-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]morpholine-2-carboxylic acid?
The InChIKey is AJKFGSPZWSUIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4S/c1-6(12)9-13-7(5-19-9)10(15)14-2-3-18-8(4-14)11(16)17/h5-6,8H,2-4,12H2,1H3,(H,16,17).
What are the key properties of 4-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]morpholine-2-carboxylic acid?
4-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]morpholine-2-carboxylic acid has a molecular weight of 285.32 g/mol, XLogP of 0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 66389919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).