N,N-dimethyl-4-propan-2-yl-6-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]-1,3,5-triazin-2-amine

C17H23F3N6S — CID 133421563

IUPACN,N-dimethyl-4-propan-2-yl-6-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]-1,3,5-triazin-2-amine
SMILESCC(C)c1nc(N(C)C)nc(N2CCCC(c3nc(C(F)(F)F)cs3)C2)n1
InChIInChI=1S/C17H23F3N6S/c1-10(2)13-22-15(25(3)4)24-16(23-13)26-7-5-6-11(8-26)14-21-12(9-27-14)17(18,19)20/h9-11H,5-8H2,1-4H3
InChIKeyRYCVTBYFWRWSRL-UHFFFAOYSA-N
MW400.47 g/mol
LogP3.92
Rot. Bonds4

About N,N-dimethyl-4-propan-2-yl-6-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]-1,3,5-triazin-2-amine

N,N-dimethyl-4-propan-2-yl-6-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]-1,3,5-triazin-2-amine (PubChem CID 133421563) has the molecular formula C17H23F3N6S and a molecular weight of 400.47 g/mol. Its IUPAC name is N,N-dimethyl-4-propan-2-yl-6-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-propan-2-yl-6-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]-1,3,5-triazin-2-amine
PubChem CID133421563
Molecular FormulaC17H23F3N6S
Molecular Weight400.47 g/mol
Exact Mass400.17
IUPAC NameN,N-dimethyl-4-propan-2-yl-6-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]-1,3,5-triazin-2-amine
SMILESCC(C)c1nc(N(C)C)nc(N2CCCC(c3nc(C(F)(F)F)cs3)C2)n1
InChIInChI=1S/C17H23F3N6S/c1-10(2)13-22-15(25(3)4)24-16(23-13)26-7-5-6-11(8-26)14-21-12(9-27-14)17(18,19)20/h9-11H,5-8H2,1-4H3
InChIKeyRYCVTBYFWRWSRL-UHFFFAOYSA-N
XLogP3.92
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.47
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-propan-2-yl-6-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]-1,3,5-triazin-2-amine?
The IUPAC name of N,N-dimethyl-4-propan-2-yl-6-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]-1,3,5-triazin-2-amine (CID 133421563) is N,N-dimethyl-4-propan-2-yl-6-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]-1,3,5-triazin-2-amine.
What is the SMILES notation for N,N-dimethyl-4-propan-2-yl-6-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]-1,3,5-triazin-2-amine?
The canonical SMILES for N,N-dimethyl-4-propan-2-yl-6-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]-1,3,5-triazin-2-amine is CC(C)c1nc(N(C)C)nc(N2CCCC(c3nc(C(F)(F)F)cs3)C2)n1.
What is the InChIKey of N,N-dimethyl-4-propan-2-yl-6-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]-1,3,5-triazin-2-amine?
The InChIKey is RYCVTBYFWRWSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N6S/c1-10(2)13-22-15(25(3)4)24-16(23-13)26-7-5-6-11(8-26)14-21-12(9-27-14)17(18,19)20/h9-11H,5-8H2,1-4H3.
What are the key properties of N,N-dimethyl-4-propan-2-yl-6-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]-1,3,5-triazin-2-amine?
N,N-dimethyl-4-propan-2-yl-6-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]-1,3,5-triazin-2-amine has a molecular weight of 400.47 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-propan-2-yl-6-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 133421563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).