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

C10H7F3N2S — CID 14772707

IUPAC2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-amine
SMILESNc1csc(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C10H7F3N2S/c11-10(12,13)7-3-1-2-6(4-7)9-15-8(14)5-16-9/h1-5H,14H2
InChIKeyWORZIPHLQPHVRO-UHFFFAOYSA-N
MW244.24 g/mol
LogP3.41
Rot. Bonds1

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

2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-amine (PubChem CID 14772707) has the molecular formula C10H7F3N2S and a molecular weight of 244.24 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-amine.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-amine
PubChem CID14772707
Molecular FormulaC10H7F3N2S
Molecular Weight244.24 g/mol
Exact Mass244.03
IUPAC Name2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-amine
SMILESNc1csc(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C10H7F3N2S/c11-10(12,13)7-3-1-2-6(4-7)9-15-8(14)5-16-9/h1-5H,14H2
InChIKeyWORZIPHLQPHVRO-UHFFFAOYSA-N
XLogP3.41
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-amine?
The IUPAC name of 2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-amine (CID 14772707) is 2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-amine.
What is the SMILES notation for 2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-amine?
The canonical SMILES for 2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-amine is Nc1csc(-c2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-amine?
The InChIKey is WORZIPHLQPHVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2S/c11-10(12,13)7-3-1-2-6(4-7)9-15-8(14)5-16-9/h1-5H,14H2.
What are the key properties of 2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-amine?
2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-amine has a molecular weight of 244.24 g/mol, XLogP of 3.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-amine is sourced from PubChem (CID 14772707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).