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

C10H15F3N4S — CID 107304499

IUPAC[4-methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methanamine
SMILESCC1(CN)CCN(c2nc(C(F)(F)F)ns2)CC1
InChIInChI=1S/C10H15F3N4S/c1-9(6-14)2-4-17(5-3-9)8-15-7(16-18-8)10(11,12)13/h2-6,14H2,1H3
InChIKeyDGDJOVMCTGGCDM-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.12
Rot. Bonds2

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

[4-methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methanamine (PubChem CID 107304499) has the molecular formula C10H15F3N4S and a molecular weight of 280.32 g/mol. Its IUPAC name is [4-methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methanamine
PubChem CID107304499
Molecular FormulaC10H15F3N4S
Molecular Weight280.32 g/mol
Exact Mass280.10
IUPAC Name[4-methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methanamine
SMILESCC1(CN)CCN(c2nc(C(F)(F)F)ns2)CC1
InChIInChI=1S/C10H15F3N4S/c1-9(6-14)2-4-17(5-3-9)8-15-7(16-18-8)10(11,12)13/h2-6,14H2,1H3
InChIKeyDGDJOVMCTGGCDM-UHFFFAOYSA-N
XLogP2.12
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-Methyl-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole
CID 119099100
3-ethyl-N-[[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 164642026
3-Methyl-5-[3-(trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole
CID 58792112
3-[(1S,3R)-2,2-difluoro-3-methylcyclopropyl]-5-piperidin-1-yl-1,2,4-thiadiazole
CID 130467102
3-[(1S)-2,2-difluoro-3-methylcyclopropyl]-5-piperidin-1-yl-1,2,4-thiadiazole
CID 132216085
3-(Piperidin-4-ylmethyl)-5-(trifluoromethyl)-1,2,4-thiadiazole
CID 169691597
5-(Piperidin-4-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 169691755
5-[4-(Trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazol-3-amine
CID 66278808
[3-Methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]methanamine
CID 105554549
N-[(3,3-dimethylpiperidin-2-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 105566429
N-[(1-ethylcyclopropyl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 105701100
N-[(1-propylcyclopropyl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 105701360

Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methanamine?
The IUPAC name of [4-methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methanamine (CID 107304499) is [4-methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methanamine.
What is the SMILES notation for [4-methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methanamine?
The canonical SMILES for [4-methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methanamine is CC1(CN)CCN(c2nc(C(F)(F)F)ns2)CC1.
What is the InChIKey of [4-methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methanamine?
The InChIKey is DGDJOVMCTGGCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4S/c1-9(6-14)2-4-17(5-3-9)8-15-7(16-18-8)10(11,12)13/h2-6,14H2,1H3.
What are the key properties of [4-methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methanamine?
[4-methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methanamine has a molecular weight of 280.32 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methanamine is sourced from PubChem (CID 107304499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).