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

C10H15F3N4S — CID 80608429

IUPACN-methyl-5-[[3-(trifluoromethyl)piperidin-1-yl]methyl]-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(CN2CCCC(C(F)(F)F)C2)s1
InChIInChI=1S/C10H15F3N4S/c1-14-9-16-15-8(18-9)6-17-4-2-3-7(5-17)10(11,12)13/h7H,2-6H2,1H3,(H,14,16)
InChIKeyJEGXFFWAPYBVQO-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.35
Rot. Bonds3

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

N-methyl-5-[[3-(trifluoromethyl)piperidin-1-yl]methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 80608429) has the molecular formula C10H15F3N4S and a molecular weight of 280.32 g/mol. Its IUPAC name is N-methyl-5-[[3-(trifluoromethyl)piperidin-1-yl]methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-methyl-5-[[3-(trifluoromethyl)piperidin-1-yl]methyl]-1,3,4-thiadiazol-2-amine
PubChem CID80608429
Molecular FormulaC10H15F3N4S
Molecular Weight280.32 g/mol
Exact Mass280.10
IUPAC NameN-methyl-5-[[3-(trifluoromethyl)piperidin-1-yl]methyl]-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(CN2CCCC(C(F)(F)F)C2)s1
InChIInChI=1S/C10H15F3N4S/c1-14-9-16-15-8(18-9)6-17-4-2-3-7(5-17)10(11,12)13/h7H,2-6H2,1H3,(H,14,16)
InChIKeyJEGXFFWAPYBVQO-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[[3-(trifluoromethyl)piperidin-1-yl]methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-methyl-5-[[3-(trifluoromethyl)piperidin-1-yl]methyl]-1,3,4-thiadiazol-2-amine (CID 80608429) is N-methyl-5-[[3-(trifluoromethyl)piperidin-1-yl]methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-methyl-5-[[3-(trifluoromethyl)piperidin-1-yl]methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-methyl-5-[[3-(trifluoromethyl)piperidin-1-yl]methyl]-1,3,4-thiadiazol-2-amine is CNc1nnc(CN2CCCC(C(F)(F)F)C2)s1.
What is the InChIKey of N-methyl-5-[[3-(trifluoromethyl)piperidin-1-yl]methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is JEGXFFWAPYBVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4S/c1-14-9-16-15-8(18-9)6-17-4-2-3-7(5-17)10(11,12)13/h7H,2-6H2,1H3,(H,14,16).
What are the key properties of N-methyl-5-[[3-(trifluoromethyl)piperidin-1-yl]methyl]-1,3,4-thiadiazol-2-amine?
N-methyl-5-[[3-(trifluoromethyl)piperidin-1-yl]methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 280.32 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[[3-(trifluoromethyl)piperidin-1-yl]methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80608429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).