N-[4-[1-(4-methylsulfanylphenyl)ethylamino]-6-(trifluoromethyl)-1,3,5-triazin-2-yl]acetamide

C15H16F3N5OS — CID 15390076

IUPACN-[4-[1-(4-methylsulfanylphenyl)ethylamino]-6-(trifluoromethyl)-1,3,5-triazin-2-yl]acetamide
SMILESCSc1ccc(C(C)Nc2nc(NC(C)=O)nc(C(F)(F)F)n2)cc1
InChIInChI=1S/C15H16F3N5OS/c1-8(10-4-6-11(25-3)7-5-10)19-13-21-12(15(16,17)18)22-14(23-13)20-9(2)24/h4-8H,1-3H3,(H2,19,20,21,22,23,24)
InChIKeyPDICAZXEHUOEDL-UHFFFAOYSA-N
MW371.39 g/mol
LogP3.74
Rot. Bonds5

About N-[4-[1-(4-methylsulfanylphenyl)ethylamino]-6-(trifluoromethyl)-1,3,5-triazin-2-yl]acetamide

N-[4-[1-(4-methylsulfanylphenyl)ethylamino]-6-(trifluoromethyl)-1,3,5-triazin-2-yl]acetamide (PubChem CID 15390076) has the molecular formula C15H16F3N5OS and a molecular weight of 371.39 g/mol. Its IUPAC name is N-[4-[1-(4-methylsulfanylphenyl)ethylamino]-6-(trifluoromethyl)-1,3,5-triazin-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[1-(4-methylsulfanylphenyl)ethylamino]-6-(trifluoromethyl)-1,3,5-triazin-2-yl]acetamide
PubChem CID15390076
Molecular FormulaC15H16F3N5OS
Molecular Weight371.39 g/mol
Exact Mass371.10
IUPAC NameN-[4-[1-(4-methylsulfanylphenyl)ethylamino]-6-(trifluoromethyl)-1,3,5-triazin-2-yl]acetamide
SMILESCSc1ccc(C(C)Nc2nc(NC(C)=O)nc(C(F)(F)F)n2)cc1
InChIInChI=1S/C15H16F3N5OS/c1-8(10-4-6-11(25-3)7-5-10)19-13-21-12(15(16,17)18)22-14(23-13)20-9(2)24/h4-8H,1-3H3,(H2,19,20,21,22,23,24)
InChIKeyPDICAZXEHUOEDL-UHFFFAOYSA-N
XLogP3.74
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(4-methylsulfanylphenyl)ethylamino]-6-(trifluoromethyl)-1,3,5-triazin-2-yl]acetamide?
The IUPAC name of N-[4-[1-(4-methylsulfanylphenyl)ethylamino]-6-(trifluoromethyl)-1,3,5-triazin-2-yl]acetamide (CID 15390076) is N-[4-[1-(4-methylsulfanylphenyl)ethylamino]-6-(trifluoromethyl)-1,3,5-triazin-2-yl]acetamide.
What is the SMILES notation for N-[4-[1-(4-methylsulfanylphenyl)ethylamino]-6-(trifluoromethyl)-1,3,5-triazin-2-yl]acetamide?
The canonical SMILES for N-[4-[1-(4-methylsulfanylphenyl)ethylamino]-6-(trifluoromethyl)-1,3,5-triazin-2-yl]acetamide is CSc1ccc(C(C)Nc2nc(NC(C)=O)nc(C(F)(F)F)n2)cc1.
What is the InChIKey of N-[4-[1-(4-methylsulfanylphenyl)ethylamino]-6-(trifluoromethyl)-1,3,5-triazin-2-yl]acetamide?
The InChIKey is PDICAZXEHUOEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N5OS/c1-8(10-4-6-11(25-3)7-5-10)19-13-21-12(15(16,17)18)22-14(23-13)20-9(2)24/h4-8H,1-3H3,(H2,19,20,21,22,23,24).
What are the key properties of N-[4-[1-(4-methylsulfanylphenyl)ethylamino]-6-(trifluoromethyl)-1,3,5-triazin-2-yl]acetamide?
N-[4-[1-(4-methylsulfanylphenyl)ethylamino]-6-(trifluoromethyl)-1,3,5-triazin-2-yl]acetamide has a molecular weight of 371.39 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(4-methylsulfanylphenyl)ethylamino]-6-(trifluoromethyl)-1,3,5-triazin-2-yl]acetamide is sourced from PubChem (CID 15390076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).