N-ethyl-4-methyl-5-[5-methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-1,3-thiazol-2-amine

C11H14F3N5S — CID 131938825

IUPACN-ethyl-4-methyl-5-[5-methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-1,3-thiazol-2-amine
SMILESCCNc1nc(C)c(-c2nc(C)nn2CC(F)(F)F)s1
InChIInChI=1S/C11H14F3N5S/c1-4-15-10-16-6(2)8(20-10)9-17-7(3)18-19(9)5-11(12,13)14/h4-5H2,1-3H3,(H,15,16)
InChIKeyIQYPWIDQGKZLBY-UHFFFAOYSA-N
MW305.33 g/mol
LogP3.01
Rot. Bonds4

About N-ethyl-4-methyl-5-[5-methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-1,3-thiazol-2-amine

N-ethyl-4-methyl-5-[5-methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-1,3-thiazol-2-amine (PubChem CID 131938825) has the molecular formula C11H14F3N5S and a molecular weight of 305.33 g/mol. Its IUPAC name is N-ethyl-4-methyl-5-[5-methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-4-methyl-5-[5-methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-1,3-thiazol-2-amine
PubChem CID131938825
Molecular FormulaC11H14F3N5S
Molecular Weight305.33 g/mol
Exact Mass305.09
IUPAC NameN-ethyl-4-methyl-5-[5-methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-1,3-thiazol-2-amine
SMILESCCNc1nc(C)c(-c2nc(C)nn2CC(F)(F)F)s1
InChIInChI=1S/C11H14F3N5S/c1-4-15-10-16-6(2)8(20-10)9-17-7(3)18-19(9)5-11(12,13)14/h4-5H2,1-3H3,(H,15,16)
InChIKeyIQYPWIDQGKZLBY-UHFFFAOYSA-N
XLogP3.01
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-5-[5-methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-1,3-thiazol-2-amine?
The IUPAC name of N-ethyl-4-methyl-5-[5-methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-1,3-thiazol-2-amine (CID 131938825) is N-ethyl-4-methyl-5-[5-methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-ethyl-4-methyl-5-[5-methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-1,3-thiazol-2-amine?
The canonical SMILES for N-ethyl-4-methyl-5-[5-methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-1,3-thiazol-2-amine is CCNc1nc(C)c(-c2nc(C)nn2CC(F)(F)F)s1.
What is the InChIKey of N-ethyl-4-methyl-5-[5-methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-1,3-thiazol-2-amine?
The InChIKey is IQYPWIDQGKZLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N5S/c1-4-15-10-16-6(2)8(20-10)9-17-7(3)18-19(9)5-11(12,13)14/h4-5H2,1-3H3,(H,15,16).
What are the key properties of N-ethyl-4-methyl-5-[5-methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-1,3-thiazol-2-amine?
N-ethyl-4-methyl-5-[5-methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-1,3-thiazol-2-amine has a molecular weight of 305.33 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-5-[5-methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 131938825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).