[(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone

C14H18F3N3O2S — CID 126816314

IUPAC[(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone
SMILESC[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)c1csc(C(F)(F)F)n1
InChIInChI=1S/C14H18F3N3O2S/c1-9-11(19-4-6-22-7-5-19)2-3-20(9)12(21)10-8-23-13(18-10)14(15,16)17/h8-9,11H,2-7H2,1H3/t9-,11-/m1/s1
InChIKeyUJFGLTUJAJFQAY-MWLCHTKSSA-N
MW349.38 g/mol
LogP2.10
Rot. Bonds2

About [(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone

[(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone (PubChem CID 126816314) has the molecular formula C14H18F3N3O2S and a molecular weight of 349.38 g/mol. Its IUPAC name is [(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Name[(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone
PubChem CID126816314
Molecular FormulaC14H18F3N3O2S
Molecular Weight349.38 g/mol
Exact Mass349.11
IUPAC Name[(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone
SMILESC[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)c1csc(C(F)(F)F)n1
InChIInChI=1S/C14H18F3N3O2S/c1-9-11(19-4-6-22-7-5-19)2-3-20(9)12(21)10-8-23-13(18-10)14(15,16)17/h8-9,11H,2-7H2,1H3/t9-,11-/m1/s1
InChIKeyUJFGLTUJAJFQAY-MWLCHTKSSA-N
XLogP2.10
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.38
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone?
The IUPAC name of [(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone (CID 126816314) is [(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for [(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone?
The canonical SMILES for [(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone is C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)c1csc(C(F)(F)F)n1.
What is the InChIKey of [(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone?
The InChIKey is UJFGLTUJAJFQAY-MWLCHTKSSA-N. The full InChI is InChI=1S/C14H18F3N3O2S/c1-9-11(19-4-6-22-7-5-19)2-3-20(9)12(21)10-8-23-13(18-10)14(15,16)17/h8-9,11H,2-7H2,1H3/t9-,11-/m1/s1.
What are the key properties of [(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone?
[(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone has a molecular weight of 349.38 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 126816314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).