N-(1-methylpiperidin-3-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine

C9H13F3N4S — CID 107304804

IUPACN-(1-methylpiperidin-3-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCN1CCCC(Nc2nc(C(F)(F)F)ns2)C1
InChIInChI=1S/C9H13F3N4S/c1-16-4-2-3-6(5-16)13-8-14-7(15-17-8)9(10,11)12/h6H,2-5H2,1H3,(H,13,14,15)
InChIKeyMAAYYALKLHAPOP-UHFFFAOYSA-N
MW266.29 g/mol
LogP2.06
Rot. Bonds2

About N-(1-methylpiperidin-3-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine

N-(1-methylpiperidin-3-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 107304804) has the molecular formula C9H13F3N4S and a molecular weight of 266.29 g/mol. Its IUPAC name is N-(1-methylpiperidin-3-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(1-methylpiperidin-3-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
PubChem CID107304804
Molecular FormulaC9H13F3N4S
Molecular Weight266.29 g/mol
Exact Mass266.08
IUPAC NameN-(1-methylpiperidin-3-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCN1CCCC(Nc2nc(C(F)(F)F)ns2)C1
InChIInChI=1S/C9H13F3N4S/c1-16-4-2-3-6(5-16)13-8-14-7(15-17-8)9(10,11)12/h6H,2-5H2,1H3,(H,13,14,15)
InChIKeyMAAYYALKLHAPOP-UHFFFAOYSA-N
XLogP2.06
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-(1-propylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine
CID 65267689
3-ethyl-N-(1-propylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine
CID 65276447
1-(3-Methyl-1,2,4-thiadiazol-5-yl)piperidin-4-amine
CID 58397876
N-[[(2R)-1-ethylpiperidin-2-yl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 97594400
3-ethyl-N-[[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 164642026
5-Piperazin-1-yl-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 53418310
2-N-(4,4-difluorocyclohexyl)-6-(3-methyl-1,2,4-thiadiazol-5-yl)-1,3,5-triazine-2,4-diamine
CID 175495132
N-[(3,3-dimethylpiperidin-2-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 105566429
N'-cyclopropyl-N'-ethyl-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine
CID 105967748
2-N-cyclopropyl-2-N-methyl-1-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propane-1,2-diamine
CID 105968559
N'-ethyl-N'-propyl-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine
CID 105969391
N'-butan-2-yl-N'-methyl-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine
CID 105970127

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpiperidin-3-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(1-methylpiperidin-3-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (CID 107304804) is N-(1-methylpiperidin-3-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(1-methylpiperidin-3-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(1-methylpiperidin-3-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is CN1CCCC(Nc2nc(C(F)(F)F)ns2)C1.
What is the InChIKey of N-(1-methylpiperidin-3-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is MAAYYALKLHAPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4S/c1-16-4-2-3-6(5-16)13-8-14-7(15-17-8)9(10,11)12/h6H,2-5H2,1H3,(H,13,14,15).
What are the key properties of N-(1-methylpiperidin-3-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
N-(1-methylpiperidin-3-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 266.29 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpiperidin-3-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 107304804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).