2,2,6-trimethyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine-4-carboxamide

C12H16F3N3O2S — CID 48638902

IUPAC2,2,6-trimethyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine-4-carboxamide
SMILESCC1CN(C(=O)Nc2nc(C(F)(F)F)cs2)CC(C)(C)O1
InChIInChI=1S/C12H16F3N3O2S/c1-7-4-18(6-11(2,3)20-7)10(19)17-9-16-8(5-21-9)12(13,14)15/h5,7H,4,6H2,1-3H3,(H,16,17,19)
InChIKeyDJPUZOJWOFOGBZ-UHFFFAOYSA-N
MW323.34 g/mol
LogP3.19
Rot. Bonds1

About 2,2,6-trimethyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine-4-carboxamide

2,2,6-trimethyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine-4-carboxamide (PubChem CID 48638902) has the molecular formula C12H16F3N3O2S and a molecular weight of 323.34 g/mol. Its IUPAC name is 2,2,6-trimethyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine-4-carboxamide.

Molecular Properties

Compound Name2,2,6-trimethyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine-4-carboxamide
PubChem CID48638902
Molecular FormulaC12H16F3N3O2S
Molecular Weight323.34 g/mol
Exact Mass323.09
IUPAC Name2,2,6-trimethyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine-4-carboxamide
SMILESCC1CN(C(=O)Nc2nc(C(F)(F)F)cs2)CC(C)(C)O1
InChIInChI=1S/C12H16F3N3O2S/c1-7-4-18(6-11(2,3)20-7)10(19)17-9-16-8(5-21-9)12(13,14)15/h5,7H,4,6H2,1-3H3,(H,16,17,19)
InChIKeyDJPUZOJWOFOGBZ-UHFFFAOYSA-N
XLogP3.19
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,6-trimethyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine-4-carboxamide?
The IUPAC name of 2,2,6-trimethyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine-4-carboxamide (CID 48638902) is 2,2,6-trimethyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine-4-carboxamide.
What is the SMILES notation for 2,2,6-trimethyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine-4-carboxamide?
The canonical SMILES for 2,2,6-trimethyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine-4-carboxamide is CC1CN(C(=O)Nc2nc(C(F)(F)F)cs2)CC(C)(C)O1.
What is the InChIKey of 2,2,6-trimethyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine-4-carboxamide?
The InChIKey is DJPUZOJWOFOGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O2S/c1-7-4-18(6-11(2,3)20-7)10(19)17-9-16-8(5-21-9)12(13,14)15/h5,7H,4,6H2,1-3H3,(H,16,17,19).
What are the key properties of 2,2,6-trimethyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine-4-carboxamide?
2,2,6-trimethyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine-4-carboxamide has a molecular weight of 323.34 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6-trimethyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine-4-carboxamide is sourced from PubChem (CID 48638902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).