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

C8H9F3N2S — CID 106784471

IUPAC(E)-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]but-3-en-1-amine
SMILESNCC/C=C/c1cnc(C(F)(F)F)s1
InChIInChI=1S/C8H9F3N2S/c9-8(10,11)7-13-5-6(14-7)3-1-2-4-12/h1,3,5H,2,4,12H2/b3-1+
InChIKeyGNOBMHCPUPXUBQ-HNQUOIGGSA-N
MW222.24 g/mol
LogP2.52
Rot. Bonds3

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

(E)-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]but-3-en-1-amine (PubChem CID 106784471) has the molecular formula C8H9F3N2S and a molecular weight of 222.24 g/mol. Its IUPAC name is (E)-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]but-3-en-1-amine.

Molecular Properties

Compound Name(E)-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]but-3-en-1-amine
PubChem CID106784471
Molecular FormulaC8H9F3N2S
Molecular Weight222.24 g/mol
Exact Mass222.04
IUPAC Name(E)-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]but-3-en-1-amine
SMILESNCC/C=C/c1cnc(C(F)(F)F)s1
InChIInChI=1S/C8H9F3N2S/c9-8(10,11)7-13-5-6(14-7)3-1-2-4-12/h1,3,5H,2,4,12H2/b3-1+
InChIKeyGNOBMHCPUPXUBQ-HNQUOIGGSA-N
XLogP2.52
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Ethenyl-2-(trifluoromethyl)-1,3-thiazole
CID 89121630
5-[(E)-7,7,7-trifluorohept-1-enyl]-1,3-thiazole
CID 117719634
5-[(1E,3E)-2,3-difluoropenta-1,3-dienyl]-2-methyl-1,3-thiazole
CID 145018659
[2-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-1,3-thiazol-5-yl]methanamine
CID 145277402
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-(1,2,3,6-Tetrahydropyridin-4-yl)-2-(trifluoromethyl)-1,3-thiazole
CID 106784090
5-(2,5-dihydro-1H-pyrrol-3-yl)-2-(trifluoromethyl)-1,3-thiazole
CID 106784091
5-[(E)-4-chlorobut-1-enyl]-2-(trifluoromethyl)-1,3-thiazole
CID 106784466
5-[(E)-4-bromobut-1-enyl]-2-(trifluoromethyl)-1,3-thiazole
CID 106784467

Frequently Asked Questions

What is the IUPAC name of (E)-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]but-3-en-1-amine?
The IUPAC name of (E)-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]but-3-en-1-amine (CID 106784471) is (E)-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]but-3-en-1-amine.
What is the SMILES notation for (E)-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]but-3-en-1-amine?
The canonical SMILES for (E)-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]but-3-en-1-amine is NCC/C=C/c1cnc(C(F)(F)F)s1.
What is the InChIKey of (E)-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]but-3-en-1-amine?
The InChIKey is GNOBMHCPUPXUBQ-HNQUOIGGSA-N. The full InChI is InChI=1S/C8H9F3N2S/c9-8(10,11)7-13-5-6(14-7)3-1-2-4-12/h1,3,5H,2,4,12H2/b3-1+.
What are the key properties of (E)-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]but-3-en-1-amine?
(E)-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]but-3-en-1-amine has a molecular weight of 222.24 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]but-3-en-1-amine is sourced from PubChem (CID 106784471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).