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

C11H15F3N2S — CID 106784475

IUPAC(E)-N-propan-2-yl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]but-3-en-1-amine
SMILESCC(C)NCC/C=C/c1cnc(C(F)(F)F)s1
InChIInChI=1S/C11H15F3N2S/c1-8(2)15-6-4-3-5-9-7-16-10(17-9)11(12,13)14/h3,5,7-8,15H,4,6H2,1-2H3/b5-3+
InChIKeyXJIPGTBJLXSXFX-HWKANZROSA-N
MW264.32 g/mol
LogP3.56
Rot. Bonds5

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

(E)-N-propan-2-yl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]but-3-en-1-amine (PubChem CID 106784475) has the molecular formula C11H15F3N2S and a molecular weight of 264.32 g/mol. Its IUPAC name is (E)-N-propan-2-yl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]but-3-en-1-amine.

Molecular Properties

Compound Name(E)-N-propan-2-yl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]but-3-en-1-amine
PubChem CID106784475
Molecular FormulaC11H15F3N2S
Molecular Weight264.32 g/mol
Exact Mass264.09
IUPAC Name(E)-N-propan-2-yl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]but-3-en-1-amine
SMILESCC(C)NCC/C=C/c1cnc(C(F)(F)F)s1
InChIInChI=1S/C11H15F3N2S/c1-8(2)15-6-4-3-5-9-7-16-10(17-9)11(12,13)14/h3,5,7-8,15H,4,6H2,1-2H3/b5-3+
InChIKeyXJIPGTBJLXSXFX-HWKANZROSA-N
XLogP3.56
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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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Related Compounds

5-[(E)-7,7,7-trifluorohept-1-enyl]-1,3-thiazole
CID 117719634
N-methyl-1-[2-[(1E,3Z)-6,6,6-trifluoro-1-(methylideneamino)hexa-1,3-dien-2-yl]-1,3-thiazol-5-yl]ethanamine
CID 130390600
5-[(1E,3E)-2,3-difluoropenta-1,3-dienyl]-2-methyl-1,3-thiazole
CID 145018659
5-Ethenyl-2-(trifluoromethyl)-1,3-thiazole;3-methylazetidine
CID 171092940
5-[2-(Azetidin-3-yl)ethenyl]-2-(trifluoromethyl)-1,3-thiazole
CID 171093011
5-(7,7,7-Trifluorohept-1-enyl)-1,3-thiazole
CID 173558766
2-methyl-5-[(E)-prop-1-enyl]-1,3-thiazole
CID 57305421
5-(2,5-dihydro-1H-pyrrol-3-yl)-2-(trifluoromethyl)-1,3-thiazole
CID 106784091
5-[(E)-4-bromobut-1-enyl]-2-(trifluoromethyl)-1,3-thiazole
CID 106784467
4-[2-(Trifluoromethyl)-1,3-thiazol-5-yl]pent-3-en-1-amine
CID 106784470
(E)-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]but-3-en-1-amine
CID 106784471
(E)-N-methyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]but-3-en-1-amine
CID 106784472

Frequently Asked Questions

What is the IUPAC name of (E)-N-propan-2-yl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]but-3-en-1-amine?
The IUPAC name of (E)-N-propan-2-yl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]but-3-en-1-amine (CID 106784475) is (E)-N-propan-2-yl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]but-3-en-1-amine.
What is the SMILES notation for (E)-N-propan-2-yl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]but-3-en-1-amine?
The canonical SMILES for (E)-N-propan-2-yl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]but-3-en-1-amine is CC(C)NCC/C=C/c1cnc(C(F)(F)F)s1.
What is the InChIKey of (E)-N-propan-2-yl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]but-3-en-1-amine?
The InChIKey is XJIPGTBJLXSXFX-HWKANZROSA-N. The full InChI is InChI=1S/C11H15F3N2S/c1-8(2)15-6-4-3-5-9-7-16-10(17-9)11(12,13)14/h3,5,7-8,15H,4,6H2,1-2H3/b5-3+.
What are the key properties of (E)-N-propan-2-yl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]but-3-en-1-amine?
(E)-N-propan-2-yl-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, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-propan-2-yl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]but-3-en-1-amine is sourced from PubChem (CID 106784475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).