2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanamine

C12H11F3N2S — CID 10812715

IUPAC2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanamine
SMILESNCCc1csc(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C12H11F3N2S/c13-12(14,15)9-3-1-2-8(6-9)11-17-10(4-5-16)7-18-11/h1-3,6-7H,4-5,16H2
InChIKeyNAQBCIUOBUOYRD-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.33
Rot. Bonds3

About 2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanamine

2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanamine (PubChem CID 10812715) has the molecular formula C12H11F3N2S and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanamine
PubChem CID10812715
Molecular FormulaC12H11F3N2S
Molecular Weight272.30 g/mol
Exact Mass272.06
IUPAC Name2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanamine
SMILESNCCc1csc(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C12H11F3N2S/c13-12(14,15)9-3-1-2-8(6-9)11-17-10(4-5-16)7-18-11/h1-3,6-7H,4-5,16H2
InChIKeyNAQBCIUOBUOYRD-UHFFFAOYSA-N
XLogP3.33
TPSA38.91 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 ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanamine?
The IUPAC name of 2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanamine (CID 10812715) is 2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanamine.
What is the SMILES notation for 2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanamine?
The canonical SMILES for 2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanamine is NCCc1csc(-c2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanamine?
The InChIKey is NAQBCIUOBUOYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2S/c13-12(14,15)9-3-1-2-8(6-9)11-17-10(4-5-16)7-18-11/h1-3,6-7H,4-5,16H2.
What are the key properties of 2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanamine?
2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanamine has a molecular weight of 272.30 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanamine is sourced from PubChem (CID 10812715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).