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

C10H15F3N4OS — CID 154735956

IUPACN-[2-(3-methylmorpholin-4-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCC1COCCN1CCNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C10H15F3N4OS/c1-7-6-18-5-4-17(7)3-2-14-9-15-8(16-19-9)10(11,12)13/h7H,2-6H2,1H3,(H,14,15,16)
InChIKeyVSTBTYZCYNPPTM-UHFFFAOYSA-N
MW296.32 g/mol
LogP1.69
Rot. Bonds4

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

N-[2-(3-methylmorpholin-4-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 154735956) has the molecular formula C10H15F3N4OS and a molecular weight of 296.32 g/mol. Its IUPAC name is N-[2-(3-methylmorpholin-4-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[2-(3-methylmorpholin-4-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
PubChem CID154735956
Molecular FormulaC10H15F3N4OS
Molecular Weight296.32 g/mol
Exact Mass296.09
IUPAC NameN-[2-(3-methylmorpholin-4-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCC1COCCN1CCNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C10H15F3N4OS/c1-7-6-18-5-4-17(7)3-2-14-9-15-8(16-19-9)10(11,12)13/h7H,2-6H2,1H3,(H,14,15,16)
InChIKeyVSTBTYZCYNPPTM-UHFFFAOYSA-N
XLogP1.69
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-N-(4-morpholin-4-ylbutyl)-1,2,4-thiadiazol-5-amine
CID 132380131
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
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'-(2-methoxyethyl)-N'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propane-1,3-diamine
CID 107304489
4-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholine-2-carbothioamide
CID 107304538
5-(3-Methylpiperazin-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 107304580
5-(2,5-Dimethylpiperazin-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 107304584
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

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylmorpholin-4-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[2-(3-methylmorpholin-4-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (CID 154735956) is N-[2-(3-methylmorpholin-4-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[2-(3-methylmorpholin-4-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[2-(3-methylmorpholin-4-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is CC1COCCN1CCNc1nc(C(F)(F)F)ns1.
What is the InChIKey of N-[2-(3-methylmorpholin-4-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is VSTBTYZCYNPPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4OS/c1-7-6-18-5-4-17(7)3-2-14-9-15-8(16-19-9)10(11,12)13/h7H,2-6H2,1H3,(H,14,15,16).
What are the key properties of N-[2-(3-methylmorpholin-4-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
N-[2-(3-methylmorpholin-4-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 296.32 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylmorpholin-4-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 154735956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).