N-(morpholin-3-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine

C8H11F3N4OS — CID 107305520

IUPACN-(morpholin-3-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESFC(F)(F)c1nsc(NCC2COCCN2)n1
InChIInChI=1S/C8H11F3N4OS/c9-8(10,11)6-14-7(17-15-6)13-3-5-4-16-2-1-12-5/h5,12H,1-4H2,(H,13,14,15)
InChIKeyOUGQGCNPYAUCHD-UHFFFAOYSA-N
MW268.26 g/mol
LogP0.96
Rot. Bonds3

About N-(morpholin-3-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine

N-(morpholin-3-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 107305520) has the molecular formula C8H11F3N4OS and a molecular weight of 268.26 g/mol. Its IUPAC name is N-(morpholin-3-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(morpholin-3-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
PubChem CID107305520
Molecular FormulaC8H11F3N4OS
Molecular Weight268.26 g/mol
Exact Mass268.06
IUPAC NameN-(morpholin-3-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESFC(F)(F)c1nsc(NCC2COCCN2)n1
InChIInChI=1S/C8H11F3N4OS/c9-8(10,11)6-14-7(17-15-6)13-3-5-4-16-2-1-12-5/h5,12H,1-4H2,(H,13,14,15)
InChIKeyOUGQGCNPYAUCHD-UHFFFAOYSA-N
XLogP0.96
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxyethyl)-3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine
CID 103151224
N-propan-2-yl-3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-thiadiazol-5-amine
CID 103476988
N-propan-2-yl-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-thiadiazol-5-amine
CID 103476989
N-cyclopropyl-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-thiadiazol-5-amine
CID 103476990
4-methoxy-3-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]butane-1,3-diamine
CID 106154512
3-methoxy-2-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propane-1,2-diamine
CID 106181741
N-[3-(2-aminoethoxy)propyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 106308254
4-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholine-2-carbothioamide
CID 107304538
N-(1-methoxypropan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304659
N-(2-morpholin-4-ylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304684
N-(3-morpholin-4-ylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304700
N-(oxan-4-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304730

Frequently Asked Questions

What is the IUPAC name of N-(morpholin-3-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(morpholin-3-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (CID 107305520) is N-(morpholin-3-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(morpholin-3-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(morpholin-3-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is FC(F)(F)c1nsc(NCC2COCCN2)n1.
What is the InChIKey of N-(morpholin-3-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is OUGQGCNPYAUCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4OS/c9-8(10,11)6-14-7(17-15-6)13-3-5-4-16-2-1-12-5/h5,12H,1-4H2,(H,13,14,15).
What are the key properties of N-(morpholin-3-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
N-(morpholin-3-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 268.26 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(morpholin-3-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 107305520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).