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

C15H17F3N6S — CID 126889699

IUPACN-[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
SMILESFC(F)(F)c1cc(NC2CCN(c3nnc(C4CC4)s3)CC2)ncn1
InChIInChI=1S/C15H17F3N6S/c16-15(17,18)11-7-12(20-8-19-11)21-10-3-5-24(6-4-10)14-23-22-13(25-14)9-1-2-9/h7-10H,1-6H2,(H,19,20,21)
InChIKeyJOKUYIIFXGAJHN-UHFFFAOYSA-N
MW370.40 g/mol
LogP3.31
Rot. Bonds4

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

N-[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 126889699) has the molecular formula C15H17F3N6S and a molecular weight of 370.40 g/mol. Its IUPAC name is N-[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID126889699
Molecular FormulaC15H17F3N6S
Molecular Weight370.40 g/mol
Exact Mass370.12
IUPAC NameN-[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
SMILESFC(F)(F)c1cc(NC2CCN(c3nnc(C4CC4)s3)CC2)ncn1
InChIInChI=1S/C15H17F3N6S/c16-15(17,18)11-7-12(20-8-19-11)21-10-3-5-24(6-4-10)14-23-22-13(25-14)9-1-2-9/h7-10H,1-6H2,(H,19,20,21)
InChIKeyJOKUYIIFXGAJHN-UHFFFAOYSA-N
XLogP3.31
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine with MolForge

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Related Compounds

N-[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126887241
N-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 126889693
N-[1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 171704970
N-[1-(7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 126889914
N-[1-(1,3,4-oxadiazol-2-ylmethyl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 126889764
N-[1-(6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 126889915
3-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]pyrrolidin-2-one
CID 126889834
N-[1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 126889695
N-[1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 171995859
N-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 171326775
N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 126876394
2-cyclopropyl-5-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]-1,3,4-thiadiazole
CID 163345458

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine (CID 126889699) is N-[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine is FC(F)(F)c1cc(NC2CCN(c3nnc(C4CC4)s3)CC2)ncn1.
What is the InChIKey of N-[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is JOKUYIIFXGAJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N6S/c16-15(17,18)11-7-12(20-8-19-11)21-10-3-5-24(6-4-10)14-23-22-13(25-14)9-1-2-9/h7-10H,1-6H2,(H,19,20,21).
What are the key properties of N-[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
N-[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 370.40 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 126889699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).