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

C13H15F3N6S — CID 126889698

IUPACN-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1nsc(N2CCC(Nc3cc(C(F)(F)F)ncn3)CC2)n1
InChIInChI=1S/C13H15F3N6S/c1-8-19-12(23-21-8)22-4-2-9(3-5-22)20-11-6-10(13(14,15)16)17-7-18-11/h6-7,9H,2-5H2,1H3,(H,17,18,20)
InChIKeyCBZSZSYGHWIMPU-UHFFFAOYSA-N
MW344.37 g/mol
LogP2.74
Rot. Bonds3

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

N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 126889698) has the molecular formula C13H15F3N6S and a molecular weight of 344.37 g/mol. Its IUPAC name is N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID126889698
Molecular FormulaC13H15F3N6S
Molecular Weight344.37 g/mol
Exact Mass344.10
IUPAC NameN-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1nsc(N2CCC(Nc3cc(C(F)(F)F)ncn3)CC2)n1
InChIInChI=1S/C13H15F3N6S/c1-8-19-12(23-21-8)22-4-2-9(3-5-22)20-11-6-10(13(14,15)16)17-7-18-11/h6-7,9H,2-5H2,1H3,(H,17,18,20)
InChIKeyCBZSZSYGHWIMPU-UHFFFAOYSA-N
XLogP2.74
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine (CID 126889698) is N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine is Cc1nsc(N2CCC(Nc3cc(C(F)(F)F)ncn3)CC2)n1.
What is the InChIKey of N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is CBZSZSYGHWIMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N6S/c1-8-19-12(23-21-8)22-4-2-9(3-5-22)20-11-6-10(13(14,15)16)17-7-18-11/h6-7,9H,2-5H2,1H3,(H,17,18,20).
What are the key properties of N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 344.37 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 126889698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).