[4-methylsulfanyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methanamine

C10H15F3N4S2 — CID 107304497

IUPAC[4-methylsulfanyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methanamine
SMILESCSC1(CN)CCN(c2nc(C(F)(F)F)ns2)CC1
InChIInChI=1S/C10H15F3N4S2/c1-18-9(6-14)2-4-17(5-3-9)8-15-7(16-19-8)10(11,12)13/h2-6,14H2,1H3
InChIKeyYPNNSTSKYJJSBH-UHFFFAOYSA-N
MW312.39 g/mol
LogP2.22
Rot. Bonds3

About [4-methylsulfanyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methanamine

[4-methylsulfanyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methanamine (PubChem CID 107304497) has the molecular formula C10H15F3N4S2 and a molecular weight of 312.39 g/mol. Its IUPAC name is [4-methylsulfanyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[4-methylsulfanyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methanamine
PubChem CID107304497
Molecular FormulaC10H15F3N4S2
Molecular Weight312.39 g/mol
Exact Mass312.07
IUPAC Name[4-methylsulfanyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methanamine
SMILESCSC1(CN)CCN(c2nc(C(F)(F)F)ns2)CC1
InChIInChI=1S/C10H15F3N4S2/c1-18-9(6-14)2-4-17(5-3-9)8-15-7(16-19-8)10(11,12)13/h2-6,14H2,1H3
InChIKeyYPNNSTSKYJJSBH-UHFFFAOYSA-N
XLogP2.22
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidine-4-carboxylic acid
CID 107304330
2-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]oxyethanamine
CID 107306278
5-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]pentan-1-amine
CID 107304475
[1-(5,6-dimethylpyrazin-2-yl)-4-methylsulfanylpiperidin-4-yl]methanamine
CID 114474796
[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]methanamine
CID 107305313
3-propyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidine-3-carboxylic acid
CID 107304336
1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidine-4-carbaldehyde
CID 107305985
6-(bromomethyl)-2,2-dimethyl-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholine
CID 107306197
5-(3-chloro-4-methylpiperidin-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 107306217
5-(azetidin-1-yl)-3-tert-butyl-1,2,4-thiadiazole
CID 130611538
2-methyl-2-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propan-1-amine
CID 130544605
1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidine-3-carboxylic acid
CID 107304347

Frequently Asked Questions

What is the IUPAC name of [4-methylsulfanyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methanamine?
The IUPAC name of [4-methylsulfanyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methanamine (CID 107304497) is [4-methylsulfanyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methanamine.
What is the SMILES notation for [4-methylsulfanyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methanamine?
The canonical SMILES for [4-methylsulfanyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methanamine is CSC1(CN)CCN(c2nc(C(F)(F)F)ns2)CC1.
What is the InChIKey of [4-methylsulfanyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methanamine?
The InChIKey is YPNNSTSKYJJSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4S2/c1-18-9(6-14)2-4-17(5-3-9)8-15-7(16-19-8)10(11,12)13/h2-6,14H2,1H3.
What are the key properties of [4-methylsulfanyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methanamine?
[4-methylsulfanyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methanamine has a molecular weight of 312.39 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methylsulfanyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methanamine is sourced from PubChem (CID 107304497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).