3-cyclopropyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,2,4-thiadiazol-5-amine

C13H19F3N4S — CID 133486633

IUPAC3-cyclopropyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,2,4-thiadiazol-5-amine
SMILESFC(F)(F)CN1CCC(CNc2nc(C3CC3)ns2)CC1
InChIInChI=1S/C13H19F3N4S/c14-13(15,16)8-20-5-3-9(4-6-20)7-17-12-18-11(19-21-12)10-1-2-10/h9-10H,1-8H2,(H,17,18,19)
InChIKeyLOLVDLQLKNGLCY-UHFFFAOYSA-N
MW320.38 g/mol
LogP3.10
Rot. Bonds5

About 3-cyclopropyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,2,4-thiadiazol-5-amine

3-cyclopropyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,2,4-thiadiazol-5-amine (PubChem CID 133486633) has the molecular formula C13H19F3N4S and a molecular weight of 320.38 g/mol. Its IUPAC name is 3-cyclopropyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,2,4-thiadiazol-5-amine
PubChem CID133486633
Molecular FormulaC13H19F3N4S
Molecular Weight320.38 g/mol
Exact Mass320.13
IUPAC Name3-cyclopropyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,2,4-thiadiazol-5-amine
SMILESFC(F)(F)CN1CCC(CNc2nc(C3CC3)ns2)CC1
InChIInChI=1S/C13H19F3N4S/c14-13(15,16)8-20-5-3-9(4-6-20)7-17-12-18-11(19-21-12)10-1-2-10/h9-10H,1-8H2,(H,17,18,19)
InChIKeyLOLVDLQLKNGLCY-UHFFFAOYSA-N
XLogP3.10
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.38
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-cyclopropyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,2,4-thiadiazol-5-amine with MolForge

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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-cyclopropyl-N-[[4-(trifluoromethyl)cyclohexyl]methyl]-1,2,4-thiadiazol-5-amine
CID 91644106
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-[(1S,3R)-2,2-difluoro-3-propan-2-ylcyclopropyl]-5-piperidin-1-yl-1,2,4-thiadiazole
CID 130466721
3-[(1S,3R)-2,2-difluoro-3-methylcyclopropyl]-5-piperidin-1-yl-1,2,4-thiadiazole
CID 130467102
3-[(1S,3R)-3-ethyl-2,2-difluorocyclopropyl]-5-piperidin-1-yl-1,2,4-thiadiazole
CID 130472470
3-[(1S)-2,2-difluoro-3-methylcyclopropyl]-5-piperidin-1-yl-1,2,4-thiadiazole
CID 132216085
3-[(1S)-2,2-difluoro-3-propan-2-ylcyclopropyl]-5-piperidin-1-yl-1,2,4-thiadiazole
CID 132216086
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-cyclopropyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 65271109

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-cyclopropyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,2,4-thiadiazol-5-amine (CID 133486633) is 3-cyclopropyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-cyclopropyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-cyclopropyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,2,4-thiadiazol-5-amine is FC(F)(F)CN1CCC(CNc2nc(C3CC3)ns2)CC1.
What is the InChIKey of 3-cyclopropyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is LOLVDLQLKNGLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4S/c14-13(15,16)8-20-5-3-9(4-6-20)7-17-12-18-11(19-21-12)10-1-2-10/h9-10H,1-8H2,(H,17,18,19).
What are the key properties of 3-cyclopropyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,2,4-thiadiazol-5-amine?
3-cyclopropyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 320.38 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 133486633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).