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

C11H13F3N2O3S — CID 22337498

IUPAC2-(2-morpholin-4-ylethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(CCN2CCOCC2)nc1C(F)(F)F
InChIInChI=1S/C11H13F3N2O3S/c12-11(13,14)9-8(10(17)18)20-7(15-9)1-2-16-3-5-19-6-4-16/h1-6H2,(H,17,18)
InChIKeyQECAIJJZVBJQSW-UHFFFAOYSA-N
MW310.30 g/mol
LogP1.73
Rot. Bonds4

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

2-(2-morpholin-4-ylethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 22337498) has the molecular formula C11H13F3N2O3S and a molecular weight of 310.30 g/mol. Its IUPAC name is 2-(2-morpholin-4-ylethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-morpholin-4-ylethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
PubChem CID22337498
Molecular FormulaC11H13F3N2O3S
Molecular Weight310.30 g/mol
Exact Mass310.06
IUPAC Name2-(2-morpholin-4-ylethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(CCN2CCOCC2)nc1C(F)(F)F
InChIInChI=1S/C11H13F3N2O3S/c12-11(13,14)9-8(10(17)18)20-7(15-9)1-2-16-3-5-19-6-4-16/h1-6H2,(H,17,18)
InChIKeyQECAIJJZVBJQSW-UHFFFAOYSA-N
XLogP1.73
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-morpholin-4-ylethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(2-morpholin-4-ylethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid (CID 22337498) is 2-(2-morpholin-4-ylethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(2-morpholin-4-ylethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(2-morpholin-4-ylethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid is O=C(O)c1sc(CCN2CCOCC2)nc1C(F)(F)F.
What is the InChIKey of 2-(2-morpholin-4-ylethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is QECAIJJZVBJQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O3S/c12-11(13,14)9-8(10(17)18)20-7(15-9)1-2-16-3-5-19-6-4-16/h1-6H2,(H,17,18).
What are the key properties of 2-(2-morpholin-4-ylethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
2-(2-morpholin-4-ylethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 310.30 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-morpholin-4-ylethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 22337498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).