N,N-dimethyl-3-[[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1,2,4-thiadiazol-5-amine

C15H20F3N7S — CID 126889712

IUPACN,N-dimethyl-3-[[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1,2,4-thiadiazol-5-amine
SMILESCN(C)c1nc(CN2CCC(Nc3cc(C(F)(F)F)ncn3)CC2)ns1
InChIInChI=1S/C15H20F3N7S/c1-24(2)14-22-13(23-26-14)8-25-5-3-10(4-6-25)21-12-7-11(15(16,17)18)19-9-20-12/h7,9-10H,3-6,8H2,1-2H3,(H,19,20,21)
InChIKeyASJSELJURDOPRH-UHFFFAOYSA-N
MW387.44 g/mol
LogP2.49
Rot. Bonds5

About N,N-dimethyl-3-[[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1,2,4-thiadiazol-5-amine

N,N-dimethyl-3-[[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1,2,4-thiadiazol-5-amine (PubChem CID 126889712) has the molecular formula C15H20F3N7S and a molecular weight of 387.44 g/mol. Its IUPAC name is N,N-dimethyl-3-[[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1,2,4-thiadiazol-5-amine
PubChem CID126889712
Molecular FormulaC15H20F3N7S
Molecular Weight387.44 g/mol
Exact Mass387.15
IUPAC NameN,N-dimethyl-3-[[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1,2,4-thiadiazol-5-amine
SMILESCN(C)c1nc(CN2CCC(Nc3cc(C(F)(F)F)ncn3)CC2)ns1
InChIInChI=1S/C15H20F3N7S/c1-24(2)14-22-13(23-26-14)8-25-5-3-10(4-6-25)21-12-7-11(15(16,17)18)19-9-20-12/h7,9-10H,3-6,8H2,1-2H3,(H,19,20,21)
InChIKeyASJSELJURDOPRH-UHFFFAOYSA-N
XLogP2.49
TPSA70.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of N,N-dimethyl-3-[[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1,2,4-thiadiazol-5-amine (CID 126889712) is N,N-dimethyl-3-[[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N,N-dimethyl-3-[[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N,N-dimethyl-3-[[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1,2,4-thiadiazol-5-amine is CN(C)c1nc(CN2CCC(Nc3cc(C(F)(F)F)ncn3)CC2)ns1.
What is the InChIKey of N,N-dimethyl-3-[[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is ASJSELJURDOPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N7S/c1-24(2)14-22-13(23-26-14)8-25-5-3-10(4-6-25)21-12-7-11(15(16,17)18)19-9-20-12/h7,9-10H,3-6,8H2,1-2H3,(H,19,20,21).
What are the key properties of N,N-dimethyl-3-[[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1,2,4-thiadiazol-5-amine?
N,N-dimethyl-3-[[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 387.44 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 126889712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).