4-[2-(1,3-thiazol-4-yl)ethylcarbamoyl]morpholine-2-carboxylic acid

C11H15N3O4S — CID 63824344

IUPAC4-[2-(1,3-thiazol-4-yl)ethylcarbamoyl]morpholine-2-carboxylic acid
SMILESO=C(O)C1CN(C(=O)NCCc2cscn2)CCO1
InChIInChI=1S/C11H15N3O4S/c15-10(16)9-5-14(3-4-18-9)11(17)12-2-1-8-6-19-7-13-8/h6-7,9H,1-5H2,(H,12,17)(H,15,16)
InChIKeyVAZGJNFOJKLPNO-UHFFFAOYSA-N
MW285.32 g/mol
LogP0.18
Rot. Bonds4

About 4-[2-(1,3-thiazol-4-yl)ethylcarbamoyl]morpholine-2-carboxylic acid

4-[2-(1,3-thiazol-4-yl)ethylcarbamoyl]morpholine-2-carboxylic acid (PubChem CID 63824344) has the molecular formula C11H15N3O4S and a molecular weight of 285.32 g/mol. Its IUPAC name is 4-[2-(1,3-thiazol-4-yl)ethylcarbamoyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-[2-(1,3-thiazol-4-yl)ethylcarbamoyl]morpholine-2-carboxylic acid
PubChem CID63824344
Molecular FormulaC11H15N3O4S
Molecular Weight285.32 g/mol
Exact Mass285.08
IUPAC Name4-[2-(1,3-thiazol-4-yl)ethylcarbamoyl]morpholine-2-carboxylic acid
SMILESO=C(O)C1CN(C(=O)NCCc2cscn2)CCO1
InChIInChI=1S/C11H15N3O4S/c15-10(16)9-5-14(3-4-18-9)11(17)12-2-1-8-6-19-7-13-8/h6-7,9H,1-5H2,(H,12,17)(H,15,16)
InChIKeyVAZGJNFOJKLPNO-UHFFFAOYSA-N
XLogP0.18
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(1,3-thiazol-4-yl)ethylcarbamoyl]morpholine-2-carboxylic acid?
The IUPAC name of 4-[2-(1,3-thiazol-4-yl)ethylcarbamoyl]morpholine-2-carboxylic acid (CID 63824344) is 4-[2-(1,3-thiazol-4-yl)ethylcarbamoyl]morpholine-2-carboxylic acid.
What is the SMILES notation for 4-[2-(1,3-thiazol-4-yl)ethylcarbamoyl]morpholine-2-carboxylic acid?
The canonical SMILES for 4-[2-(1,3-thiazol-4-yl)ethylcarbamoyl]morpholine-2-carboxylic acid is O=C(O)C1CN(C(=O)NCCc2cscn2)CCO1.
What is the InChIKey of 4-[2-(1,3-thiazol-4-yl)ethylcarbamoyl]morpholine-2-carboxylic acid?
The InChIKey is VAZGJNFOJKLPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4S/c15-10(16)9-5-14(3-4-18-9)11(17)12-2-1-8-6-19-7-13-8/h6-7,9H,1-5H2,(H,12,17)(H,15,16).
What are the key properties of 4-[2-(1,3-thiazol-4-yl)ethylcarbamoyl]morpholine-2-carboxylic acid?
4-[2-(1,3-thiazol-4-yl)ethylcarbamoyl]morpholine-2-carboxylic acid has a molecular weight of 285.32 g/mol, XLogP of 0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1,3-thiazol-4-yl)ethylcarbamoyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 63824344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).