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

C12H19F3N4S — CID 107304784

IUPACN-(2-methyl-3-piperidin-1-ylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCC(CNc1nc(C(F)(F)F)ns1)CN1CCCCC1
InChIInChI=1S/C12H19F3N4S/c1-9(8-19-5-3-2-4-6-19)7-16-11-17-10(18-20-11)12(13,14)15/h9H,2-8H2,1H3,(H,16,17,18)
InChIKeyHNWVVCKNFVQSKH-UHFFFAOYSA-N
MW308.37 g/mol
LogP3.09
Rot. Bonds5

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

N-(2-methyl-3-piperidin-1-ylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 107304784) has the molecular formula C12H19F3N4S and a molecular weight of 308.37 g/mol. Its IUPAC name is N-(2-methyl-3-piperidin-1-ylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2-methyl-3-piperidin-1-ylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
PubChem CID107304784
Molecular FormulaC12H19F3N4S
Molecular Weight308.37 g/mol
Exact Mass308.13
IUPAC NameN-(2-methyl-3-piperidin-1-ylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCC(CNc1nc(C(F)(F)F)ns1)CN1CCCCC1
InChIInChI=1S/C12H19F3N4S/c1-9(8-19-5-3-2-4-6-19)7-16-11-17-10(18-20-11)12(13,14)15/h9H,2-8H2,1H3,(H,16,17,18)
InChIKeyHNWVVCKNFVQSKH-UHFFFAOYSA-N
XLogP3.09
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 ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-methyl-3-piperidin-1-ylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
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

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-piperidin-1-ylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2-methyl-3-piperidin-1-ylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (CID 107304784) is N-(2-methyl-3-piperidin-1-ylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(2-methyl-3-piperidin-1-ylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2-methyl-3-piperidin-1-ylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is CC(CNc1nc(C(F)(F)F)ns1)CN1CCCCC1.
What is the InChIKey of N-(2-methyl-3-piperidin-1-ylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is HNWVVCKNFVQSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N4S/c1-9(8-19-5-3-2-4-6-19)7-16-11-17-10(18-20-11)12(13,14)15/h9H,2-8H2,1H3,(H,16,17,18).
What are the key properties of N-(2-methyl-3-piperidin-1-ylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
N-(2-methyl-3-piperidin-1-ylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 308.37 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-piperidin-1-ylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 107304784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).