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

C10H15F3N4S — CID 107305422

IUPACN-methyl-N-(piperidin-4-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCN(CC1CCNCC1)c1nc(C(F)(F)F)ns1
InChIInChI=1S/C10H15F3N4S/c1-17(6-7-2-4-14-5-3-7)9-15-8(16-18-9)10(11,12)13/h7,14H,2-6H2,1H3
InChIKeyGCNCPXAFSWOFIO-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.99
Rot. Bonds3

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

N-methyl-N-(piperidin-4-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 107305422) has the molecular formula C10H15F3N4S and a molecular weight of 280.32 g/mol. Its IUPAC name is N-methyl-N-(piperidin-4-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-methyl-N-(piperidin-4-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
PubChem CID107305422
Molecular FormulaC10H15F3N4S
Molecular Weight280.32 g/mol
Exact Mass280.10
IUPAC NameN-methyl-N-(piperidin-4-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCN(CC1CCNCC1)c1nc(C(F)(F)F)ns1
InChIInChI=1S/C10H15F3N4S/c1-17(6-7-2-4-14-5-3-7)9-15-8(16-18-9)10(11,12)13/h7,14H,2-6H2,1H3
InChIKeyGCNCPXAFSWOFIO-UHFFFAOYSA-N
XLogP1.99
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[[(3-Tert-butyl-1,2,4-thiadiazol-5-yl)amino]methyl]piperidin-1-yl]acetonitrile
CID 86817139
3-Methyl-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole
CID 119099100
N-[[(3S)-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]methyl]methanesulfonamide
CID 124880274
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
3-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 65267507
5-[4-(Trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazol-3-amine
CID 66278808
3-methyl-N-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 71996486

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(piperidin-4-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-methyl-N-(piperidin-4-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (CID 107305422) is N-methyl-N-(piperidin-4-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-methyl-N-(piperidin-4-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-methyl-N-(piperidin-4-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is CN(CC1CCNCC1)c1nc(C(F)(F)F)ns1.
What is the InChIKey of N-methyl-N-(piperidin-4-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is GCNCPXAFSWOFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4S/c1-17(6-7-2-4-14-5-3-7)9-15-8(16-18-9)10(11,12)13/h7,14H,2-6H2,1H3.
What are the key properties of N-methyl-N-(piperidin-4-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
N-methyl-N-(piperidin-4-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 280.32 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(piperidin-4-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 107305422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).