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

C10H15F3N4S — CID 114449861

IUPACN-(1-piperidin-3-ylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCC(Nc1nnc(C(F)(F)F)s1)C1CCCNC1
InChIInChI=1S/C10H15F3N4S/c1-6(7-3-2-4-14-5-7)15-9-17-16-8(18-9)10(11,12)13/h6-7,14H,2-5H2,1H3,(H,15,17)
InChIKeyMJKCNCHAERLXNT-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.36
Rot. Bonds3

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

N-(1-piperidin-3-ylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 114449861) has the molecular formula C10H15F3N4S and a molecular weight of 280.32 g/mol. Its IUPAC name is N-(1-piperidin-3-ylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(1-piperidin-3-ylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
PubChem CID114449861
Molecular FormulaC10H15F3N4S
Molecular Weight280.32 g/mol
Exact Mass280.10
IUPAC NameN-(1-piperidin-3-ylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCC(Nc1nnc(C(F)(F)F)s1)C1CCCNC1
InChIInChI=1S/C10H15F3N4S/c1-6(7-3-2-4-14-5-7)15-9-17-16-8(18-9)10(11,12)13/h6-7,14H,2-5H2,1H3,(H,15,17)
InChIKeyMJKCNCHAERLXNT-UHFFFAOYSA-N
XLogP2.36
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-1,3,4-thiadiazol-2-amine
CID 131933327
N-[(4-aminocyclohexyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 59229897
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
N-(piperidin-2-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 114449859
N-[(2S,3R)-1-tert-butyl-2-methylpiperidin-3-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 117630311
N-[[(1R,4S,6R)-3-azabicyclo[4.1.0]heptan-4-yl]methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 123540339
N-[(7-methyl-3-azabicyclo[4.1.0]heptan-4-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 123930227
N-(3-azabicyclo[4.1.0]heptan-4-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 144410130
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

Frequently Asked Questions

What is the IUPAC name of N-(1-piperidin-3-ylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(1-piperidin-3-ylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (CID 114449861) is N-(1-piperidin-3-ylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(1-piperidin-3-ylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(1-piperidin-3-ylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is CC(Nc1nnc(C(F)(F)F)s1)C1CCCNC1.
What is the InChIKey of N-(1-piperidin-3-ylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is MJKCNCHAERLXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4S/c1-6(7-3-2-4-14-5-7)15-9-17-16-8(18-9)10(11,12)13/h6-7,14H,2-5H2,1H3,(H,15,17).
What are the key properties of N-(1-piperidin-3-ylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
N-(1-piperidin-3-ylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 280.32 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-piperidin-3-ylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 114449861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).