N-methyl-1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-2-yl]methanamine

C10H15F3N4S — CID 107305334

IUPACN-methyl-1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-2-yl]methanamine
SMILESCNCC1CCCCN1c1nc(C(F)(F)F)ns1
InChIInChI=1S/C10H15F3N4S/c1-14-6-7-4-2-3-5-17(7)9-15-8(16-18-9)10(11,12)13/h7,14H,2-6H2,1H3
InChIKeyKSHVUKPIDLQQQD-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.14
Rot. Bonds3

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

N-methyl-1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-2-yl]methanamine (PubChem CID 107305334) has the molecular formula C10H15F3N4S and a molecular weight of 280.32 g/mol. Its IUPAC name is N-methyl-1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-2-yl]methanamine
PubChem CID107305334
Molecular FormulaC10H15F3N4S
Molecular Weight280.32 g/mol
Exact Mass280.10
IUPAC NameN-methyl-1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-2-yl]methanamine
SMILESCNCC1CCCCN1c1nc(C(F)(F)F)ns1
InChIInChI=1S/C10H15F3N4S/c1-14-6-7-4-2-3-5-17(7)9-15-8(16-18-9)10(11,12)13/h7,14H,2-6H2,1H3
InChIKeyKSHVUKPIDLQQQD-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-methyl-1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-2-yl]methanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-2-yl]methanamine?
The IUPAC name of N-methyl-1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-2-yl]methanamine (CID 107305334) is N-methyl-1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-2-yl]methanamine is CNCC1CCCCN1c1nc(C(F)(F)F)ns1.
What is the InChIKey of N-methyl-1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-2-yl]methanamine?
The InChIKey is KSHVUKPIDLQQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4S/c1-14-6-7-4-2-3-5-17(7)9-15-8(16-18-9)10(11,12)13/h7,14H,2-6H2,1H3.
What are the key properties of N-methyl-1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-2-yl]methanamine?
N-methyl-1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-2-yl]methanamine has a molecular weight of 280.32 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-2-yl]methanamine is sourced from PubChem (CID 107305334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).