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

C9H13F3N4S — CID 107305350

IUPACN-methyl-N-piperidin-3-yl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCN(c1nc(C(F)(F)F)ns1)C1CCCNC1
InChIInChI=1S/C9H13F3N4S/c1-16(6-3-2-4-13-5-6)8-14-7(15-17-8)9(10,11)12/h6,13H,2-5H2,1H3
InChIKeyABFWLYCETZKGHF-UHFFFAOYSA-N
MW266.29 g/mol
LogP1.75
Rot. Bonds2

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

N-methyl-N-piperidin-3-yl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 107305350) has the molecular formula C9H13F3N4S and a molecular weight of 266.29 g/mol. Its IUPAC name is N-methyl-N-piperidin-3-yl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-methyl-N-piperidin-3-yl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
PubChem CID107305350
Molecular FormulaC9H13F3N4S
Molecular Weight266.29 g/mol
Exact Mass266.08
IUPAC NameN-methyl-N-piperidin-3-yl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCN(c1nc(C(F)(F)F)ns1)C1CCCNC1
InChIInChI=1S/C9H13F3N4S/c1-16(6-3-2-4-13-5-6)8-14-7(15-17-8)9(10,11)12/h6,13H,2-5H2,1H3
InChIKeyABFWLYCETZKGHF-UHFFFAOYSA-N
XLogP1.75
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-methyl-N-piperidin-3-yl-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

5-(2,5-Diazabicyclo[2.2.1]heptan-2-yl)-3-methyl-1,2,4-thiadiazole
CID 18999097
2-N,4-N-bis(4,4-difluorocyclohexyl)-6-(3-methyl-1,2,4-thiadiazol-5-yl)-1,3,5-triazine-2,4-diamine
CID 117817331
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
1-(3-Ethyl-1,2,4-thiadiazol-5-yl)piperazine
CID 53403990
N-[[(2R)-1-ethylpiperidin-2-yl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 97594400
5-Piperazin-1-yl-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 53418310
2-N,4-N-bis(4,4-difluorocyclohexyl)-6-(3-methyl-1,2,4-thiadiazol-5-yl)-1,3,5-triazine-2,4-diamine;methane
CID 159103460
2-N-(4,4-difluorocyclohexyl)-6-(3-methyl-1,2,4-thiadiazol-5-yl)-1,3,5-triazine-2,4-diamine
CID 175495132
3-(Piperazin-1-ylmethyl)-5-(trifluoromethyl)-1,2,4-thiadiazole
CID 83959829
N-[(3,3-dimethylpiperidin-2-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 105566429

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-piperidin-3-yl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-methyl-N-piperidin-3-yl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (CID 107305350) is N-methyl-N-piperidin-3-yl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-methyl-N-piperidin-3-yl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-methyl-N-piperidin-3-yl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is CN(c1nc(C(F)(F)F)ns1)C1CCCNC1.
What is the InChIKey of N-methyl-N-piperidin-3-yl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is ABFWLYCETZKGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4S/c1-16(6-3-2-4-13-5-6)8-14-7(15-17-8)9(10,11)12/h6,13H,2-5H2,1H3.
What are the key properties of N-methyl-N-piperidin-3-yl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
N-methyl-N-piperidin-3-yl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 266.29 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-piperidin-3-yl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 107305350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).