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

C12H11F3N2S — CID 91324659

IUPAC5-ethyl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
SMILESCCc1cnc(Nc2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C12H11F3N2S/c1-2-10-7-16-11(18-10)17-9-5-3-8(4-6-9)12(13,14)15/h3-7H,2H2,1H3,(H,16,17)
InChIKeyMIRIEHNTDRERKB-UHFFFAOYSA-N
MW272.30 g/mol
LogP4.47
Rot. Bonds3

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

5-ethyl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine (PubChem CID 91324659) has the molecular formula C12H11F3N2S and a molecular weight of 272.30 g/mol. Its IUPAC name is 5-ethyl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-ethyl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
PubChem CID91324659
Molecular FormulaC12H11F3N2S
Molecular Weight272.30 g/mol
Exact Mass272.06
IUPAC Name5-ethyl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
SMILESCCc1cnc(Nc2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C12H11F3N2S/c1-2-10-7-16-11(18-10)17-9-5-3-8(4-6-9)12(13,14)15/h3-7H,2H2,1H3,(H,16,17)
InChIKeyMIRIEHNTDRERKB-UHFFFAOYSA-N
XLogP4.47
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-ethyl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine (CID 91324659) is 5-ethyl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-ethyl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-ethyl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine is CCc1cnc(Nc2ccc(C(F)(F)F)cc2)s1.
What is the InChIKey of 5-ethyl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The InChIKey is MIRIEHNTDRERKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2S/c1-2-10-7-16-11(18-10)17-9-5-3-8(4-6-9)12(13,14)15/h3-7H,2H2,1H3,(H,16,17).
What are the key properties of 5-ethyl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
5-ethyl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine has a molecular weight of 272.30 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 91324659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).