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

C18H24F3N7S — CID 126890878

IUPAC3-[[4-[cyclopropyl-[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine
SMILESCN(C)c1nc(CN2CCC(N(c3cc(C(F)(F)F)ncn3)C3CC3)CC2)ns1
InChIInChI=1S/C18H24F3N7S/c1-26(2)17-24-15(25-29-17)10-27-7-5-13(6-8-27)28(12-3-4-12)16-9-14(18(19,20)21)22-11-23-16/h9,11-13H,3-8,10H2,1-2H3
InChIKeyUFMYTTUBQJSFCL-UHFFFAOYSA-N
MW427.50 g/mol
LogP3.05
Rot. Bonds6

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

3-[[4-[cyclopropyl-[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine (PubChem CID 126890878) has the molecular formula C18H24F3N7S and a molecular weight of 427.50 g/mol. Its IUPAC name is 3-[[4-[cyclopropyl-[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-[[4-[cyclopropyl-[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine
PubChem CID126890878
Molecular FormulaC18H24F3N7S
Molecular Weight427.50 g/mol
Exact Mass427.18
IUPAC Name3-[[4-[cyclopropyl-[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine
SMILESCN(C)c1nc(CN2CCC(N(c3cc(C(F)(F)F)ncn3)C3CC3)CC2)ns1
InChIInChI=1S/C18H24F3N7S/c1-26(2)17-24-15(25-29-17)10-27-7-5-13(6-8-27)28(12-3-4-12)16-9-14(18(19,20)21)22-11-23-16/h9,11-13H,3-8,10H2,1-2H3
InChIKeyUFMYTTUBQJSFCL-UHFFFAOYSA-N
XLogP3.05
TPSA61.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-[cyclopropyl-[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-[[4-[cyclopropyl-[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine (CID 126890878) is 3-[[4-[cyclopropyl-[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-[[4-[cyclopropyl-[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-[[4-[cyclopropyl-[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine is CN(C)c1nc(CN2CCC(N(c3cc(C(F)(F)F)ncn3)C3CC3)CC2)ns1.
What is the InChIKey of 3-[[4-[cyclopropyl-[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine?
The InChIKey is UFMYTTUBQJSFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3N7S/c1-26(2)17-24-15(25-29-17)10-27-7-5-13(6-8-27)28(12-3-4-12)16-9-14(18(19,20)21)22-11-23-16/h9,11-13H,3-8,10H2,1-2H3.
What are the key properties of 3-[[4-[cyclopropyl-[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine?
3-[[4-[cyclopropyl-[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine has a molecular weight of 427.50 g/mol, XLogP of 3.05, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[cyclopropyl-[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 126890878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).