N-methyl-1-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanamine

C9H13F3N4OS — CID 107305449

IUPACN-methyl-1-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanamine
SMILESCNCC1CN(c2nc(C(F)(F)F)ns2)CCO1
InChIInChI=1S/C9H13F3N4OS/c1-13-4-6-5-16(2-3-17-6)8-14-7(15-18-8)9(10,11)12/h6,13H,2-5H2,1H3
InChIKeyMFTBMOWEZFVONF-UHFFFAOYSA-N
MW282.29 g/mol
LogP0.98
Rot. Bonds3

About N-methyl-1-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanamine

N-methyl-1-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanamine (PubChem CID 107305449) has the molecular formula C9H13F3N4OS and a molecular weight of 282.29 g/mol. Its IUPAC name is N-methyl-1-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanamine
PubChem CID107305449
Molecular FormulaC9H13F3N4OS
Molecular Weight282.29 g/mol
Exact Mass282.08
IUPAC NameN-methyl-1-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanamine
SMILESCNCC1CN(c2nc(C(F)(F)F)ns2)CCO1
InChIInChI=1S/C9H13F3N4OS/c1-13-4-6-5-16(2-3-17-6)8-14-7(15-18-8)9(10,11)12/h6,13H,2-5H2,1H3
InChIKeyMFTBMOWEZFVONF-UHFFFAOYSA-N
XLogP0.98
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanamine?
The IUPAC name of N-methyl-1-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanamine (CID 107305449) is N-methyl-1-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanamine is CNCC1CN(c2nc(C(F)(F)F)ns2)CCO1.
What is the InChIKey of N-methyl-1-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanamine?
The InChIKey is MFTBMOWEZFVONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4OS/c1-13-4-6-5-16(2-3-17-6)8-14-7(15-18-8)9(10,11)12/h6,13H,2-5H2,1H3.
What are the key properties of N-methyl-1-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanamine?
N-methyl-1-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanamine has a molecular weight of 282.29 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanamine is sourced from PubChem (CID 107305449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).