5-[3-fluoro-5-(trifluoromethyl)phenyl]-N-propyl-1,3-thiazol-2-amine

C13H12F4N2S — CID 116812134

IUPAC5-[3-fluoro-5-(trifluoromethyl)phenyl]-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1ncc(-c2cc(F)cc(C(F)(F)F)c2)s1
InChIInChI=1S/C13H12F4N2S/c1-2-3-18-12-19-7-11(20-12)8-4-9(13(15,16)17)6-10(14)5-8/h4-7H,2-3H2,1H3,(H,18,19)
InChIKeyFNLJZCGMDYFCLL-UHFFFAOYSA-N
MW304.31 g/mol
LogP4.79
Rot. Bonds4

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

5-[3-fluoro-5-(trifluoromethyl)phenyl]-N-propyl-1,3-thiazol-2-amine (PubChem CID 116812134) has the molecular formula C13H12F4N2S and a molecular weight of 304.31 g/mol. Its IUPAC name is 5-[3-fluoro-5-(trifluoromethyl)phenyl]-N-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[3-fluoro-5-(trifluoromethyl)phenyl]-N-propyl-1,3-thiazol-2-amine
PubChem CID116812134
Molecular FormulaC13H12F4N2S
Molecular Weight304.31 g/mol
Exact Mass304.07
IUPAC Name5-[3-fluoro-5-(trifluoromethyl)phenyl]-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1ncc(-c2cc(F)cc(C(F)(F)F)c2)s1
InChIInChI=1S/C13H12F4N2S/c1-2-3-18-12-19-7-11(20-12)8-4-9(13(15,16)17)6-10(14)5-8/h4-7H,2-3H2,1H3,(H,18,19)
InChIKeyFNLJZCGMDYFCLL-UHFFFAOYSA-N
XLogP4.79
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[3-fluoro-5-(trifluoromethyl)phenyl]-N-propyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[3-fluoro-5-(trifluoromethyl)phenyl]-N-propyl-1,3-thiazol-2-amine (CID 116812134) is 5-[3-fluoro-5-(trifluoromethyl)phenyl]-N-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[3-fluoro-5-(trifluoromethyl)phenyl]-N-propyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[3-fluoro-5-(trifluoromethyl)phenyl]-N-propyl-1,3-thiazol-2-amine is CCCNc1ncc(-c2cc(F)cc(C(F)(F)F)c2)s1.
What is the InChIKey of 5-[3-fluoro-5-(trifluoromethyl)phenyl]-N-propyl-1,3-thiazol-2-amine?
The InChIKey is FNLJZCGMDYFCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F4N2S/c1-2-3-18-12-19-7-11(20-12)8-4-9(13(15,16)17)6-10(14)5-8/h4-7H,2-3H2,1H3,(H,18,19).
What are the key properties of 5-[3-fluoro-5-(trifluoromethyl)phenyl]-N-propyl-1,3-thiazol-2-amine?
5-[3-fluoro-5-(trifluoromethyl)phenyl]-N-propyl-1,3-thiazol-2-amine has a molecular weight of 304.31 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-fluoro-5-(trifluoromethyl)phenyl]-N-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 116812134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).