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

C12H19F3N4S — CID 107305551

IUPACN-(piperidin-3-ylmethyl)-N-propyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCCCN(CC1CCCNC1)c1nc(C(F)(F)F)ns1
InChIInChI=1S/C12H19F3N4S/c1-2-6-19(8-9-4-3-5-16-7-9)11-17-10(18-20-11)12(13,14)15/h9,16H,2-8H2,1H3
InChIKeyHGHFVHWVAHOCPJ-UHFFFAOYSA-N
MW308.37 g/mol
LogP2.77
Rot. Bonds5

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

N-(piperidin-3-ylmethyl)-N-propyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 107305551) has the molecular formula C12H19F3N4S and a molecular weight of 308.37 g/mol. Its IUPAC name is N-(piperidin-3-ylmethyl)-N-propyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(piperidin-3-ylmethyl)-N-propyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
PubChem CID107305551
Molecular FormulaC12H19F3N4S
Molecular Weight308.37 g/mol
Exact Mass308.13
IUPAC NameN-(piperidin-3-ylmethyl)-N-propyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCCCN(CC1CCCNC1)c1nc(C(F)(F)F)ns1
InChIInChI=1S/C12H19F3N4S/c1-2-6-19(8-9-4-3-5-16-7-9)11-17-10(18-20-11)12(13,14)15/h9,16H,2-8H2,1H3
InChIKeyHGHFVHWVAHOCPJ-UHFFFAOYSA-N
XLogP2.77
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 52.77
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
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-(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
3-tert-butyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 65271052
3-propan-2-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 65271108
3-propyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 65271165

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-3-ylmethyl)-N-propyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(piperidin-3-ylmethyl)-N-propyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (CID 107305551) is N-(piperidin-3-ylmethyl)-N-propyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(piperidin-3-ylmethyl)-N-propyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(piperidin-3-ylmethyl)-N-propyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is CCCN(CC1CCCNC1)c1nc(C(F)(F)F)ns1.
What is the InChIKey of N-(piperidin-3-ylmethyl)-N-propyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is HGHFVHWVAHOCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N4S/c1-2-6-19(8-9-4-3-5-16-7-9)11-17-10(18-20-11)12(13,14)15/h9,16H,2-8H2,1H3.
What are the key properties of N-(piperidin-3-ylmethyl)-N-propyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
N-(piperidin-3-ylmethyl)-N-propyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 308.37 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-3-ylmethyl)-N-propyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 107305551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).