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

C15H17F3N2S — CID 61337275

IUPAC3-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pentan-3-amine
SMILESCCC(N)(CC)c1nc(-c2cccc(C(F)(F)F)c2)cs1
InChIInChI=1S/C15H17F3N2S/c1-3-14(19,4-2)13-20-12(9-21-13)10-6-5-7-11(8-10)15(16,17)18/h5-9H,3-4,19H2,1-2H3
InChIKeyIUOOQTMXXZWFIR-UHFFFAOYSA-N
MW314.38 g/mol
LogP4.80
Rot. Bonds4

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

3-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pentan-3-amine (PubChem CID 61337275) has the molecular formula C15H17F3N2S and a molecular weight of 314.38 g/mol. Its IUPAC name is 3-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pentan-3-amine.

Molecular Properties

Compound Name3-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pentan-3-amine
PubChem CID61337275
Molecular FormulaC15H17F3N2S
Molecular Weight314.38 g/mol
Exact Mass314.11
IUPAC Name3-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pentan-3-amine
SMILESCCC(N)(CC)c1nc(-c2cccc(C(F)(F)F)c2)cs1
InChIInChI=1S/C15H17F3N2S/c1-3-14(19,4-2)13-20-12(9-21-13)10-6-5-7-11(8-10)15(16,17)18/h5-9H,3-4,19H2,1-2H3
InChIKeyIUOOQTMXXZWFIR-UHFFFAOYSA-N
XLogP4.80
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pentan-3-amine?
The IUPAC name of 3-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pentan-3-amine (CID 61337275) is 3-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pentan-3-amine.
What is the SMILES notation for 3-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pentan-3-amine?
The canonical SMILES for 3-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pentan-3-amine is CCC(N)(CC)c1nc(-c2cccc(C(F)(F)F)c2)cs1.
What is the InChIKey of 3-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pentan-3-amine?
The InChIKey is IUOOQTMXXZWFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2S/c1-3-14(19,4-2)13-20-12(9-21-13)10-6-5-7-11(8-10)15(16,17)18/h5-9H,3-4,19H2,1-2H3.
What are the key properties of 3-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pentan-3-amine?
3-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pentan-3-amine has a molecular weight of 314.38 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pentan-3-amine is sourced from PubChem (CID 61337275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).