(6R)-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-2,2-dimethyl-6-(trifluoromethyl)morpholine-4-carboxamide

C15H23F3N4O2S — CID 129345345

IUPAC(6R)-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-2,2-dimethyl-6-(trifluoromethyl)morpholine-4-carboxamide
SMILESCC1(C)CN(C(=O)NCc2nnc(C(C)(C)C)s2)C[C@H](C(F)(F)F)O1
InChIInChI=1S/C15H23F3N4O2S/c1-13(2,3)11-21-20-10(25-11)6-19-12(23)22-7-9(15(16,17)18)24-14(4,5)8-22/h9H,6-8H2,1-5H3,(H,19,23)/t9-/m1/s1
InChIKeyGZLNKUDUEKPRRX-SECBINFHSA-N
MW380.44 g/mol
LogP3.09
Rot. Bonds2

About (6R)-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-2,2-dimethyl-6-(trifluoromethyl)morpholine-4-carboxamide

(6R)-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-2,2-dimethyl-6-(trifluoromethyl)morpholine-4-carboxamide (PubChem CID 129345345) has the molecular formula C15H23F3N4O2S and a molecular weight of 380.44 g/mol. Its IUPAC name is (6R)-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-2,2-dimethyl-6-(trifluoromethyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name(6R)-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-2,2-dimethyl-6-(trifluoromethyl)morpholine-4-carboxamide
PubChem CID129345345
Molecular FormulaC15H23F3N4O2S
Molecular Weight380.44 g/mol
Exact Mass380.15
IUPAC Name(6R)-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-2,2-dimethyl-6-(trifluoromethyl)morpholine-4-carboxamide
SMILESCC1(C)CN(C(=O)NCc2nnc(C(C)(C)C)s2)C[C@H](C(F)(F)F)O1
InChIInChI=1S/C15H23F3N4O2S/c1-13(2,3)11-21-20-10(25-11)6-19-12(23)22-7-9(15(16,17)18)24-14(4,5)8-22/h9H,6-8H2,1-5H3,(H,19,23)/t9-/m1/s1
InChIKeyGZLNKUDUEKPRRX-SECBINFHSA-N
XLogP3.09
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6R)-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-2,2-dimethyl-6-(trifluoromethyl)morpholine-4-carboxamide?
The IUPAC name of (6R)-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-2,2-dimethyl-6-(trifluoromethyl)morpholine-4-carboxamide (CID 129345345) is (6R)-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-2,2-dimethyl-6-(trifluoromethyl)morpholine-4-carboxamide.
What is the SMILES notation for (6R)-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-2,2-dimethyl-6-(trifluoromethyl)morpholine-4-carboxamide?
The canonical SMILES for (6R)-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-2,2-dimethyl-6-(trifluoromethyl)morpholine-4-carboxamide is CC1(C)CN(C(=O)NCc2nnc(C(C)(C)C)s2)C[C@H](C(F)(F)F)O1.
What is the InChIKey of (6R)-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-2,2-dimethyl-6-(trifluoromethyl)morpholine-4-carboxamide?
The InChIKey is GZLNKUDUEKPRRX-SECBINFHSA-N. The full InChI is InChI=1S/C15H23F3N4O2S/c1-13(2,3)11-21-20-10(25-11)6-19-12(23)22-7-9(15(16,17)18)24-14(4,5)8-22/h9H,6-8H2,1-5H3,(H,19,23)/t9-/m1/s1.
What are the key properties of (6R)-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-2,2-dimethyl-6-(trifluoromethyl)morpholine-4-carboxamide?
(6R)-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-2,2-dimethyl-6-(trifluoromethyl)morpholine-4-carboxamide has a molecular weight of 380.44 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-2,2-dimethyl-6-(trifluoromethyl)morpholine-4-carboxamide is sourced from PubChem (CID 129345345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).