2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid

C8H10N2O3S — CID 15475835

IUPAC2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(N2CCOCC2)s1
InChIInChI=1S/C8H10N2O3S/c11-7(12)6-5-9-8(14-6)10-1-3-13-4-2-10/h5H,1-4H2,(H,11,12)
InChIKeyNILKOMDINYFEEX-UHFFFAOYSA-N
MW214.25 g/mol
LogP0.68
Rot. Bonds2

About 2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid

2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid (PubChem CID 15475835) has the molecular formula C8H10N2O3S and a molecular weight of 214.25 g/mol. Its IUPAC name is 2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid
PubChem CID15475835
Molecular FormulaC8H10N2O3S
Molecular Weight214.25 g/mol
Exact Mass214.04
IUPAC Name2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(N2CCOCC2)s1
InChIInChI=1S/C8H10N2O3S/c11-7(12)6-5-9-8(14-6)10-1-3-13-4-2-10/h5H,1-4H2,(H,11,12)
InChIKeyNILKOMDINYFEEX-UHFFFAOYSA-N
XLogP0.68
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(Morpholin-4-yl)-1,3-thiazol-5-yl]methanol
CID 24229673
Ethyl 2-{[(dimethylamino)methylene]amino}-1,3-thiazole-5-carboxylate
CID 9607486
2-(Morpholin-4-yl)-1,3-thiazole-5-carbaldehyde
CID 1479770
2-(Pyrrolidin-1-yl)thiazole-5-carboxylic acid
CID 24229715
2-(Dimethylamino)-1,3-thiazole-5-carboxylic acid
CID 62753131
2-{4-[(Tert-butoxy)carbonyl]piperazin-1-yl}-1,3-thiazole-5-carboxylic acid
CID 67294012
Ethyl 2-morpholinothiazole-5-carboxylate
CID 11053825
Ethyl 2-(piperazin-1-yl)-1,3-thiazole-5-carboxylate
CID 54595879
2-(4-Methylpiperazin-1-yl)-1,3-thiazole-5-carboxylic acid dihydrochloride
CID 54595164
2-(4-Methylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid
CID 62752431
Ethyl 2-{[(dimethylamino)methylidene]amino}-1,3-thiazole-5-carboxylate
CID 5093866
2-(4-Methyl-1-piperazinyl)-5-thiazolecarboxylic acid
CID 54595165

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid (CID 15475835) is 2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid is O=C(O)c1cnc(N2CCOCC2)s1.
What is the InChIKey of 2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid?
The InChIKey is NILKOMDINYFEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3S/c11-7(12)6-5-9-8(14-6)10-1-3-13-4-2-10/h5H,1-4H2,(H,11,12).
What are the key properties of 2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid?
2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid has a molecular weight of 214.25 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 15475835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).