3,3,3-trifluoro-N-(5-morpholin-4-yl-1,3-thiazol-2-yl)propanamide

C10H12F3N3O2S — CID 150698632

IUPAC3,3,3-trifluoro-N-(5-morpholin-4-yl-1,3-thiazol-2-yl)propanamide
SMILESO=C(CC(F)(F)F)Nc1ncc(N2CCOCC2)s1
InChIInChI=1S/C10H12F3N3O2S/c11-10(12,13)5-7(17)15-9-14-6-8(19-9)16-1-3-18-4-2-16/h6H,1-5H2,(H,14,15,17)
InChIKeyJLJUDGXLWDIAER-UHFFFAOYSA-N
MW295.29 g/mol
LogP1.87
Rot. Bonds3

About 3,3,3-trifluoro-N-(5-morpholin-4-yl-1,3-thiazol-2-yl)propanamide

3,3,3-trifluoro-N-(5-morpholin-4-yl-1,3-thiazol-2-yl)propanamide (PubChem CID 150698632) has the molecular formula C10H12F3N3O2S and a molecular weight of 295.29 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-(5-morpholin-4-yl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-(5-morpholin-4-yl-1,3-thiazol-2-yl)propanamide
PubChem CID150698632
Molecular FormulaC10H12F3N3O2S
Molecular Weight295.29 g/mol
Exact Mass295.06
IUPAC Name3,3,3-trifluoro-N-(5-morpholin-4-yl-1,3-thiazol-2-yl)propanamide
SMILESO=C(CC(F)(F)F)Nc1ncc(N2CCOCC2)s1
InChIInChI=1S/C10H12F3N3O2S/c11-10(12,13)5-7(17)15-9-14-6-8(19-9)16-1-3-18-4-2-16/h6H,1-5H2,(H,14,15,17)
InChIKeyJLJUDGXLWDIAER-UHFFFAOYSA-N
XLogP1.87
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-(5-morpholin-4-yl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3,3,3-trifluoro-N-(5-morpholin-4-yl-1,3-thiazol-2-yl)propanamide (CID 150698632) is 3,3,3-trifluoro-N-(5-morpholin-4-yl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-(5-morpholin-4-yl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-(5-morpholin-4-yl-1,3-thiazol-2-yl)propanamide is O=C(CC(F)(F)F)Nc1ncc(N2CCOCC2)s1.
What is the InChIKey of 3,3,3-trifluoro-N-(5-morpholin-4-yl-1,3-thiazol-2-yl)propanamide?
The InChIKey is JLJUDGXLWDIAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O2S/c11-10(12,13)5-7(17)15-9-14-6-8(19-9)16-1-3-18-4-2-16/h6H,1-5H2,(H,14,15,17).
What are the key properties of 3,3,3-trifluoro-N-(5-morpholin-4-yl-1,3-thiazol-2-yl)propanamide?
3,3,3-trifluoro-N-(5-morpholin-4-yl-1,3-thiazol-2-yl)propanamide has a molecular weight of 295.29 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-(5-morpholin-4-yl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 150698632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).