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

C9H13F3N4OS — CID 107305031

IUPACN-[(4-methylmorpholin-2-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCN1CCOC(CNc2nc(C(F)(F)F)ns2)C1
InChIInChI=1S/C9H13F3N4OS/c1-16-2-3-17-6(5-16)4-13-8-14-7(15-18-8)9(10,11)12/h6H,2-5H2,1H3,(H,13,14,15)
InChIKeyDDZQIKNDZJLFGM-UHFFFAOYSA-N
MW282.29 g/mol
LogP1.30
Rot. Bonds3

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

N-[(4-methylmorpholin-2-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 107305031) has the molecular formula C9H13F3N4OS and a molecular weight of 282.29 g/mol. Its IUPAC name is N-[(4-methylmorpholin-2-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[(4-methylmorpholin-2-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
PubChem CID107305031
Molecular FormulaC9H13F3N4OS
Molecular Weight282.29 g/mol
Exact Mass282.08
IUPAC NameN-[(4-methylmorpholin-2-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCN1CCOC(CNc2nc(C(F)(F)F)ns2)C1
InChIInChI=1S/C9H13F3N4OS/c1-16-2-3-17-6(5-16)4-13-8-14-7(15-18-8)9(10,11)12/h6H,2-5H2,1H3,(H,13,14,15)
InChIKeyDDZQIKNDZJLFGM-UHFFFAOYSA-N
XLogP1.30
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 ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methylmorpholin-2-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[(4-methylmorpholin-2-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (CID 107305031) is N-[(4-methylmorpholin-2-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[(4-methylmorpholin-2-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[(4-methylmorpholin-2-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is CN1CCOC(CNc2nc(C(F)(F)F)ns2)C1.
What is the InChIKey of N-[(4-methylmorpholin-2-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is DDZQIKNDZJLFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4OS/c1-16-2-3-17-6(5-16)4-13-8-14-7(15-18-8)9(10,11)12/h6H,2-5H2,1H3,(H,13,14,15).
What are the key properties of N-[(4-methylmorpholin-2-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
N-[(4-methylmorpholin-2-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 282.29 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylmorpholin-2-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 107305031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).