5-pentan-3-yl-N-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine

C15H19F3N2S — CID 106284824

IUPAC5-pentan-3-yl-N-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC(CC)C1CN=C(Nc2ccc(C(F)(F)F)cc2)S1
InChIInChI=1S/C15H19F3N2S/c1-3-10(4-2)13-9-19-14(21-13)20-12-7-5-11(6-8-12)15(16,17)18/h5-8,10,13H,3-4,9H2,1-2H3,(H,19,20)
InChIKeyKZPQHDOMWNOUDZ-UHFFFAOYSA-N
MW316.39 g/mol
LogP5.02
Rot. Bonds4

About 5-pentan-3-yl-N-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine

5-pentan-3-yl-N-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 106284824) has the molecular formula C15H19F3N2S and a molecular weight of 316.39 g/mol. Its IUPAC name is 5-pentan-3-yl-N-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-pentan-3-yl-N-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID106284824
Molecular FormulaC15H19F3N2S
Molecular Weight316.39 g/mol
Exact Mass316.12
IUPAC Name5-pentan-3-yl-N-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC(CC)C1CN=C(Nc2ccc(C(F)(F)F)cc2)S1
InChIInChI=1S/C15H19F3N2S/c1-3-10(4-2)13-9-19-14(21-13)20-12-7-5-11(6-8-12)15(16,17)18/h5-8,10,13H,3-4,9H2,1-2H3,(H,19,20)
InChIKeyKZPQHDOMWNOUDZ-UHFFFAOYSA-N
XLogP5.02
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.39
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-pentan-3-yl-N-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-pentan-3-yl-N-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine (CID 106284824) is 5-pentan-3-yl-N-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-pentan-3-yl-N-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-pentan-3-yl-N-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine is CCC(CC)C1CN=C(Nc2ccc(C(F)(F)F)cc2)S1.
What is the InChIKey of 5-pentan-3-yl-N-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is KZPQHDOMWNOUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2S/c1-3-10(4-2)13-9-19-14(21-13)20-12-7-5-11(6-8-12)15(16,17)18/h5-8,10,13H,3-4,9H2,1-2H3,(H,19,20).
What are the key properties of 5-pentan-3-yl-N-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine?
5-pentan-3-yl-N-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 316.39 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pentan-3-yl-N-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 106284824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).