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

C12H11F3N2S — CID 4851419

IUPACN-ethyl-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
SMILESCCNc1nc(-c2cccc(C(F)(F)F)c2)cs1
InChIInChI=1S/C12H11F3N2S/c1-2-16-11-17-10(7-18-11)8-4-3-5-9(6-8)12(13,14)15/h3-7H,2H2,1H3,(H,16,17)
InChIKeyMOUIIHVVCIGXDR-UHFFFAOYSA-N
MW272.30 g/mol
LogP4.26
Rot. Bonds3

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

N-ethyl-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine (PubChem CID 4851419) has the molecular formula C12H11F3N2S and a molecular weight of 272.30 g/mol. Its IUPAC name is N-ethyl-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
PubChem CID4851419
Molecular FormulaC12H11F3N2S
Molecular Weight272.30 g/mol
Exact Mass272.06
IUPAC NameN-ethyl-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
SMILESCCNc1nc(-c2cccc(C(F)(F)F)c2)cs1
InChIInChI=1S/C12H11F3N2S/c1-2-16-11-17-10(7-18-11)8-4-3-5-9(6-8)12(13,14)15/h3-7H,2H2,1H3,(H,16,17)
InChIKeyMOUIIHVVCIGXDR-UHFFFAOYSA-N
XLogP4.26
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 ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of N-ethyl-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine (CID 4851419) is N-ethyl-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-ethyl-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-ethyl-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine is CCNc1nc(-c2cccc(C(F)(F)F)c2)cs1.
What is the InChIKey of N-ethyl-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The InChIKey is MOUIIHVVCIGXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2S/c1-2-16-11-17-10(7-18-11)8-4-3-5-9(6-8)12(13,14)15/h3-7H,2H2,1H3,(H,16,17).
What are the key properties of N-ethyl-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
N-ethyl-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine has a molecular weight of 272.30 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 4851419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).