(E)-N-propyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]but-3-en-1-amine

C11H15F3N2S — CID 106784474

IUPAC(E)-N-propyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]but-3-en-1-amine
SMILESCCCNCC/C=C/c1cnc(C(F)(F)F)s1
InChIInChI=1S/C11H15F3N2S/c1-2-6-15-7-4-3-5-9-8-16-10(17-9)11(12,13)14/h3,5,8,15H,2,4,6-7H2,1H3/b5-3+
InChIKeyUGDLZFSSAJOTBK-HWKANZROSA-N
MW264.32 g/mol
LogP3.56
Rot. Bonds6

About (E)-N-propyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]but-3-en-1-amine

(E)-N-propyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]but-3-en-1-amine (PubChem CID 106784474) has the molecular formula C11H15F3N2S and a molecular weight of 264.32 g/mol. Its IUPAC name is (E)-N-propyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]but-3-en-1-amine.

Molecular Properties

Compound Name(E)-N-propyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]but-3-en-1-amine
PubChem CID106784474
Molecular FormulaC11H15F3N2S
Molecular Weight264.32 g/mol
Exact Mass264.09
IUPAC Name(E)-N-propyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]but-3-en-1-amine
SMILESCCCNCC/C=C/c1cnc(C(F)(F)F)s1
InChIInChI=1S/C11H15F3N2S/c1-2-6-15-7-4-3-5-9-8-16-10(17-9)11(12,13)14/h3,5,8,15H,2,4,6-7H2,1H3/b5-3+
InChIKeyUGDLZFSSAJOTBK-HWKANZROSA-N
XLogP3.56
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-propyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]but-3-en-1-amine?
The IUPAC name of (E)-N-propyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]but-3-en-1-amine (CID 106784474) is (E)-N-propyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]but-3-en-1-amine.
What is the SMILES notation for (E)-N-propyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]but-3-en-1-amine?
The canonical SMILES for (E)-N-propyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]but-3-en-1-amine is CCCNCC/C=C/c1cnc(C(F)(F)F)s1.
What is the InChIKey of (E)-N-propyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]but-3-en-1-amine?
The InChIKey is UGDLZFSSAJOTBK-HWKANZROSA-N. The full InChI is InChI=1S/C11H15F3N2S/c1-2-6-15-7-4-3-5-9-8-16-10(17-9)11(12,13)14/h3,5,8,15H,2,4,6-7H2,1H3/b5-3+.
What are the key properties of (E)-N-propyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]but-3-en-1-amine?
(E)-N-propyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]but-3-en-1-amine has a molecular weight of 264.32 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-propyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]but-3-en-1-amine is sourced from PubChem (CID 106784474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).