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

C11H17F3N4S — CID 107305351

IUPACN-piperidin-3-yl-N-propyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCCCN(c1nc(C(F)(F)F)ns1)C1CCCNC1
InChIInChI=1S/C11H17F3N4S/c1-2-6-18(8-4-3-5-15-7-8)10-16-9(17-19-10)11(12,13)14/h8,15H,2-7H2,1H3
InChIKeyZZAIOJVJVAOIOG-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.53
Rot. Bonds4

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

N-piperidin-3-yl-N-propyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 107305351) has the molecular formula C11H17F3N4S and a molecular weight of 294.35 g/mol. Its IUPAC name is N-piperidin-3-yl-N-propyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-piperidin-3-yl-N-propyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
PubChem CID107305351
Molecular FormulaC11H17F3N4S
Molecular Weight294.35 g/mol
Exact Mass294.11
IUPAC NameN-piperidin-3-yl-N-propyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCCCN(c1nc(C(F)(F)F)ns1)C1CCCNC1
InChIInChI=1S/C11H17F3N4S/c1-2-6-18(8-4-3-5-15-7-8)10-16-9(17-19-10)11(12,13)14/h8,15H,2-7H2,1H3
InChIKeyZZAIOJVJVAOIOG-UHFFFAOYSA-N
XLogP2.53
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-piperidin-3-yl-N-propyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-piperidin-3-yl-N-propyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (CID 107305351) is N-piperidin-3-yl-N-propyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-piperidin-3-yl-N-propyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-piperidin-3-yl-N-propyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is CCCN(c1nc(C(F)(F)F)ns1)C1CCCNC1.
What is the InChIKey of N-piperidin-3-yl-N-propyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is ZZAIOJVJVAOIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4S/c1-2-6-18(8-4-3-5-15-7-8)10-16-9(17-19-10)11(12,13)14/h8,15H,2-7H2,1H3.
What are the key properties of N-piperidin-3-yl-N-propyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
N-piperidin-3-yl-N-propyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 294.35 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-3-yl-N-propyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 107305351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).