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

C10H15F3N4S — CID 106642786

IUPACN-methyl-N-(piperidin-3-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCN(CC1CCCNC1)c1nnc(C(F)(F)F)s1
InChIInChI=1S/C10H15F3N4S/c1-17(6-7-3-2-4-14-5-7)9-16-15-8(18-9)10(11,12)13/h7,14H,2-6H2,1H3
InChIKeyVUXNRJGLJRJOEK-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.99
Rot. Bonds3

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

N-methyl-N-(piperidin-3-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 106642786) has the molecular formula C10H15F3N4S and a molecular weight of 280.32 g/mol. Its IUPAC name is N-methyl-N-(piperidin-3-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-methyl-N-(piperidin-3-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
PubChem CID106642786
Molecular FormulaC10H15F3N4S
Molecular Weight280.32 g/mol
Exact Mass280.10
IUPAC NameN-methyl-N-(piperidin-3-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCN(CC1CCCNC1)c1nnc(C(F)(F)F)s1
InChIInChI=1S/C10H15F3N4S/c1-17(6-7-3-2-4-14-5-7)9-16-15-8(18-9)10(11,12)13/h7,14H,2-6H2,1H3
InChIKeyVUXNRJGLJRJOEK-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

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

2-propan-2-yl-5-[(3S)-3-(trifluoromethyl)piperidin-1-yl]-1,3,4-thiadiazole
CID 129397609
2-[(3R)-3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 164637187
N-[[(3S)-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-3-yl]methyl]methanesulfonamide
CID 164641442
Methyl-piperidin-4-yl-(5-trifluoromethyl-[1,3,4]thiadiazol-2-yl)-amine
CID 59323568
Piperidin-4-yl-(5-trifluoromethyl-[1,3,4]thiadiazol-2-yl)-amine
CID 59323569
N-(3-methylpentyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 89630345
[1-[5-(Trifluoromethyl)-1,3,4-thiadiazol-2-yl]azepan-4-yl]methanamine
CID 123605269
N-[(3R,4S)-3-fluoropiperidin-4-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 178170928
N-Methyl-1-{1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-4-yl}methanamine
CID 45594300
N-propyl-5-[[3-(trifluoromethyl)piperidin-1-yl]methyl]-1,3,4-thiadiazol-2-amine
CID 80608339
N-methyl-5-[[3-(trifluoromethyl)piperidin-1-yl]methyl]-1,3,4-thiadiazol-2-amine
CID 80608429
N-ethyl-5-[[3-(trifluoromethyl)piperidin-1-yl]methyl]-1,3,4-thiadiazol-2-amine
CID 80608520

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(piperidin-3-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-methyl-N-(piperidin-3-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (CID 106642786) is N-methyl-N-(piperidin-3-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-methyl-N-(piperidin-3-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-methyl-N-(piperidin-3-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is CN(CC1CCCNC1)c1nnc(C(F)(F)F)s1.
What is the InChIKey of N-methyl-N-(piperidin-3-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is VUXNRJGLJRJOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4S/c1-17(6-7-3-2-4-14-5-7)9-16-15-8(18-9)10(11,12)13/h7,14H,2-6H2,1H3.
What are the key properties of N-methyl-N-(piperidin-3-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
N-methyl-N-(piperidin-3-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-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-3-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 106642786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).