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

C9H9F3N2O3S — CID 58486431

IUPAC2-morpholin-4-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(N2CCOCC2)nc1C(F)(F)F
InChIInChI=1S/C9H9F3N2O3S/c10-9(11,12)6-5(7(15)16)18-8(13-6)14-1-3-17-4-2-14/h1-4H2,(H,15,16)
InChIKeyCESKLNNCGFFWJU-UHFFFAOYSA-N
MW282.24 g/mol
LogP1.70
Rot. Bonds2

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

2-morpholin-4-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 58486431) has the molecular formula C9H9F3N2O3S and a molecular weight of 282.24 g/mol. Its IUPAC name is 2-morpholin-4-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-morpholin-4-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
PubChem CID58486431
Molecular FormulaC9H9F3N2O3S
Molecular Weight282.24 g/mol
Exact Mass282.03
IUPAC Name2-morpholin-4-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(N2CCOCC2)nc1C(F)(F)F
InChIInChI=1S/C9H9F3N2O3S/c10-9(11,12)6-5(7(15)16)18-8(13-6)14-1-3-17-4-2-14/h1-4H2,(H,15,16)
InChIKeyCESKLNNCGFFWJU-UHFFFAOYSA-N
XLogP1.70
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.24
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-morpholin-4-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid (CID 58486431) is 2-morpholin-4-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-morpholin-4-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-morpholin-4-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid is O=C(O)c1sc(N2CCOCC2)nc1C(F)(F)F.
What is the InChIKey of 2-morpholin-4-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is CESKLNNCGFFWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O3S/c10-9(11,12)6-5(7(15)16)18-8(13-6)14-1-3-17-4-2-14/h1-4H2,(H,15,16).
What are the key properties of 2-morpholin-4-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
2-morpholin-4-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 282.24 g/mol, XLogP of 1.70, 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-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 58486431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).