N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine

C15H12F3N5S — CID 42285955

IUPACN-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine
SMILESCc1nc(CNc2nncc(-c3ccc(C(F)(F)F)cc3)n2)cs1
InChIInChI=1S/C15H12F3N5S/c1-9-21-12(8-24-9)6-19-14-22-13(7-20-23-14)10-2-4-11(5-3-10)15(16,17)18/h2-5,7-8H,6H2,1H3,(H,19,22,23)
InChIKeyXZLVJZZDJNBXTO-UHFFFAOYSA-N
MW351.36 g/mol
LogP3.93
Rot. Bonds4

About N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine

N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine (PubChem CID 42285955) has the molecular formula C15H12F3N5S and a molecular weight of 351.36 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine
PubChem CID42285955
Molecular FormulaC15H12F3N5S
Molecular Weight351.36 g/mol
Exact Mass351.08
IUPAC NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine
SMILESCc1nc(CNc2nncc(-c3ccc(C(F)(F)F)cc3)n2)cs1
InChIInChI=1S/C15H12F3N5S/c1-9-21-12(8-24-9)6-19-14-22-13(7-20-23-14)10-2-4-11(5-3-10)15(16,17)18/h2-5,7-8H,6H2,1H3,(H,19,22,23)
InChIKeyXZLVJZZDJNBXTO-UHFFFAOYSA-N
XLogP3.93
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine?
The IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine (CID 42285955) is N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine is Cc1nc(CNc2nncc(-c3ccc(C(F)(F)F)cc3)n2)cs1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine?
The InChIKey is XZLVJZZDJNBXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N5S/c1-9-21-12(8-24-9)6-19-14-22-13(7-20-23-14)10-2-4-11(5-3-10)15(16,17)18/h2-5,7-8H,6H2,1H3,(H,19,22,23).
What are the key properties of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine?
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine has a molecular weight of 351.36 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine is sourced from PubChem (CID 42285955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).