3-(morpholine-4-carbonyl)-1,2-thiazole-5-carboxylic acid

C9H10N2O4S — CID 117215218

IUPAC3-(morpholine-4-carbonyl)-1,2-thiazole-5-carboxylic acid
SMILESO=C(O)c1cc(C(=O)N2CCOCC2)ns1
InChIInChI=1S/C9H10N2O4S/c12-8(11-1-3-15-4-2-11)6-5-7(9(13)14)16-10-6/h5H,1-4H2,(H,13,14)
InChIKeyVZAHBCPLVXKAQL-UHFFFAOYSA-N
MW242.26 g/mol
LogP0.31
Rot. Bonds2

About 3-(morpholine-4-carbonyl)-1,2-thiazole-5-carboxylic acid

3-(morpholine-4-carbonyl)-1,2-thiazole-5-carboxylic acid (PubChem CID 117215218) has the molecular formula C9H10N2O4S and a molecular weight of 242.26 g/mol. Its IUPAC name is 3-(morpholine-4-carbonyl)-1,2-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(morpholine-4-carbonyl)-1,2-thiazole-5-carboxylic acid
PubChem CID117215218
Molecular FormulaC9H10N2O4S
Molecular Weight242.26 g/mol
Exact Mass242.04
IUPAC Name3-(morpholine-4-carbonyl)-1,2-thiazole-5-carboxylic acid
SMILESO=C(O)c1cc(C(=O)N2CCOCC2)ns1
InChIInChI=1S/C9H10N2O4S/c12-8(11-1-3-15-4-2-11)6-5-7(9(13)14)16-10-6/h5H,1-4H2,(H,13,14)
InChIKeyVZAHBCPLVXKAQL-UHFFFAOYSA-N
XLogP0.31
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(morpholine-4-carbonyl)-1,2-thiazole-5-carboxylic acid?
The IUPAC name of 3-(morpholine-4-carbonyl)-1,2-thiazole-5-carboxylic acid (CID 117215218) is 3-(morpholine-4-carbonyl)-1,2-thiazole-5-carboxylic acid.
What is the SMILES notation for 3-(morpholine-4-carbonyl)-1,2-thiazole-5-carboxylic acid?
The canonical SMILES for 3-(morpholine-4-carbonyl)-1,2-thiazole-5-carboxylic acid is O=C(O)c1cc(C(=O)N2CCOCC2)ns1.
What is the InChIKey of 3-(morpholine-4-carbonyl)-1,2-thiazole-5-carboxylic acid?
The InChIKey is VZAHBCPLVXKAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4S/c12-8(11-1-3-15-4-2-11)6-5-7(9(13)14)16-10-6/h5H,1-4H2,(H,13,14).
What are the key properties of 3-(morpholine-4-carbonyl)-1,2-thiazole-5-carboxylic acid?
3-(morpholine-4-carbonyl)-1,2-thiazole-5-carboxylic acid has a molecular weight of 242.26 g/mol, XLogP of 0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(morpholine-4-carbonyl)-1,2-thiazole-5-carboxylic acid is sourced from PubChem (CID 117215218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).