2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide

C11H15F3N4O2S — CID 27234498

IUPAC2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESC[C@@H]1CN(CC(=O)Nc2nnc(C(F)(F)F)s2)C[C@H](C)O1
InChIInChI=1S/C11H15F3N4O2S/c1-6-3-18(4-7(2)20-6)5-8(19)15-10-17-16-9(21-10)11(12,13)14/h6-7H,3-5H2,1-2H3,(H,15,17,19)/t6-,7+
InChIKeyNZADCAFONOKPEU-KNVOCYPGSA-N
MW324.33 g/mol
LogP1.60
Rot. Bonds3

About 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide

2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 27234498) has the molecular formula C11H15F3N4O2S and a molecular weight of 324.33 g/mol. Its IUPAC name is 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID27234498
Molecular FormulaC11H15F3N4O2S
Molecular Weight324.33 g/mol
Exact Mass324.09
IUPAC Name2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESC[C@@H]1CN(CC(=O)Nc2nnc(C(F)(F)F)s2)C[C@H](C)O1
InChIInChI=1S/C11H15F3N4O2S/c1-6-3-18(4-7(2)20-6)5-8(19)15-10-17-16-9(21-10)11(12,13)14/h6-7H,3-5H2,1-2H3,(H,15,17,19)/t6-,7+
InChIKeyNZADCAFONOKPEU-KNVOCYPGSA-N
XLogP1.60
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3,5-dimethylpiperidin-1-yl)-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 3738935
2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-N-[5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 51593290
N-cyclopropyl-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanediamide
CID 943075
3-cyclopentyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 52569880
3-amino-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride
CID 119279556
2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(4-fluorophenyl)acetamide
CID 703778
N-cyclopentyl-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanediamide
CID 940931
2-(2,6-dimethylmorpholin-4-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 6465578
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2,6-dimethylmorpholin-4-yl)acetamide
CID 4840176
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetamide
CID 1276717
2-amino-2-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride
CID 119279554
N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetamide
CID 2239702

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide (CID 27234498) is 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide is C[C@@H]1CN(CC(=O)Nc2nnc(C(F)(F)F)s2)C[C@H](C)O1.
What is the InChIKey of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is NZADCAFONOKPEU-KNVOCYPGSA-N. The full InChI is InChI=1S/C11H15F3N4O2S/c1-6-3-18(4-7(2)20-6)5-8(19)15-10-17-16-9(21-10)11(12,13)14/h6-7H,3-5H2,1-2H3,(H,15,17,19)/t6-,7+.
What are the key properties of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide?
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 324.33 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 27234498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).