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

C9H13F3N4OS — CID 107305975

IUPACN-methyl-1-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-3-yl]methanamine
SMILESCNCC1COCCN1c1nc(C(F)(F)F)ns1
InChIInChI=1S/C9H13F3N4OS/c1-13-4-6-5-17-3-2-16(6)8-14-7(15-18-8)9(10,11)12/h6,13H,2-5H2,1H3
InChIKeyDSMINSQYAYZFDC-UHFFFAOYSA-N
MW282.29 g/mol
LogP0.98
Rot. Bonds3

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

N-methyl-1-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-3-yl]methanamine (PubChem CID 107305975) 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-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-3-yl]methanamine
PubChem CID107305975
Molecular FormulaC9H13F3N4OS
Molecular Weight282.29 g/mol
Exact Mass282.08
IUPAC NameN-methyl-1-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-3-yl]methanamine
SMILESCNCC1COCCN1c1nc(C(F)(F)F)ns1
InChIInChI=1S/C9H13F3N4OS/c1-13-4-6-5-17-3-2-16(6)8-14-7(15-18-8)9(10,11)12/h6,13H,2-5H2,1H3
InChIKeyDSMINSQYAYZFDC-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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Related Compounds

N-methyl-1-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholin-3-yl]methanamine
CID 83105830
N-methyl-1-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholin-3-yl]methanamine
CID 114450234
2-methyl-N-[[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-2-yl]methyl]propan-2-amine
CID 107305954
N-methyl-1-[4-(1,2,4-thiadiazol-5-yl)morpholin-3-yl]methanamine
CID 83105624
N-[[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-2-yl]methyl]cyclopropanamine
CID 107305944
1-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]-N-methylmethanamine
CID 65280462
[4-(3-ethyl-1,2,4-thiadiazol-5-yl)morpholin-3-yl]methanamine
CID 83095298
N-methyl-1-[4-(6-methyl-2-pyridinyl)morpholin-3-yl]methanamine
CID 83105038
1-[4-(3,6-dimethylpyrazin-2-yl)morpholin-3-yl]-N-methylmethanamine
CID 83104328
2-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-2-yl]acetic acid
CID 107304299
N-methyl-1-[4-(6-methylpyrimidin-4-yl)morpholin-3-yl]methanamine
CID 83105368
3-(2-methylpropyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)morpholine
CID 133485535

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-3-yl]methanamine?
The IUPAC name of N-methyl-1-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-3-yl]methanamine (CID 107305975) is N-methyl-1-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-3-yl]methanamine is CNCC1COCCN1c1nc(C(F)(F)F)ns1.
What is the InChIKey of N-methyl-1-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-3-yl]methanamine?
The InChIKey is DSMINSQYAYZFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4OS/c1-13-4-6-5-17-3-2-16(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-3-yl]methanamine?
N-methyl-1-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-3-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-3-yl]methanamine is sourced from PubChem (CID 107305975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).