N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]morpholine-2-carboxamide

C11H14F3N3O2S — CID 119805430

IUPACN-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]morpholine-2-carboxamide
SMILESO=C(NCCc1nc(C(F)(F)F)cs1)C1CNCCO1
InChIInChI=1S/C11H14F3N3O2S/c12-11(13,14)8-6-20-9(17-8)1-2-16-10(18)7-5-15-3-4-19-7/h6-7,15H,1-5H2,(H,16,18)
InChIKeyJIYTUORFUMORKF-UHFFFAOYSA-N
MW309.31 g/mol
LogP0.81
Rot. Bonds4

About N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]morpholine-2-carboxamide

N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]morpholine-2-carboxamide (PubChem CID 119805430) has the molecular formula C11H14F3N3O2S and a molecular weight of 309.31 g/mol. Its IUPAC name is N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]morpholine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]morpholine-2-carboxamide
PubChem CID119805430
Molecular FormulaC11H14F3N3O2S
Molecular Weight309.31 g/mol
Exact Mass309.08
IUPAC NameN-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]morpholine-2-carboxamide
SMILESO=C(NCCc1nc(C(F)(F)F)cs1)C1CNCCO1
InChIInChI=1S/C11H14F3N3O2S/c12-11(13,14)8-6-20-9(17-8)1-2-16-10(18)7-5-15-3-4-19-7/h6-7,15H,1-5H2,(H,16,18)
InChIKeyJIYTUORFUMORKF-UHFFFAOYSA-N
XLogP0.81
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.31
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]morpholine-2-carboxamide?
The IUPAC name of N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]morpholine-2-carboxamide (CID 119805430) is N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]morpholine-2-carboxamide.
What is the SMILES notation for N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]morpholine-2-carboxamide?
The canonical SMILES for N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]morpholine-2-carboxamide is O=C(NCCc1nc(C(F)(F)F)cs1)C1CNCCO1.
What is the InChIKey of N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]morpholine-2-carboxamide?
The InChIKey is JIYTUORFUMORKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O2S/c12-11(13,14)8-6-20-9(17-8)1-2-16-10(18)7-5-15-3-4-19-7/h6-7,15H,1-5H2,(H,16,18).
What are the key properties of N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]morpholine-2-carboxamide?
N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]morpholine-2-carboxamide has a molecular weight of 309.31 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]morpholine-2-carboxamide is sourced from PubChem (CID 119805430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).