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

C9H11F3N2S — CID 106784472

IUPAC(E)-N-methyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]but-3-en-1-amine
SMILESCNCC/C=C/c1cnc(C(F)(F)F)s1
InChIInChI=1S/C9H11F3N2S/c1-13-5-3-2-4-7-6-14-8(15-7)9(10,11)12/h2,4,6,13H,3,5H2,1H3/b4-2+
InChIKeyAQNKQRVNTNFVKE-DUXPYHPUSA-N
MW236.26 g/mol
LogP2.78
Rot. Bonds4

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

(E)-N-methyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]but-3-en-1-amine (PubChem CID 106784472) has the molecular formula C9H11F3N2S and a molecular weight of 236.26 g/mol. Its IUPAC name is (E)-N-methyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]but-3-en-1-amine.

Molecular Properties

Compound Name(E)-N-methyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]but-3-en-1-amine
PubChem CID106784472
Molecular FormulaC9H11F3N2S
Molecular Weight236.26 g/mol
Exact Mass236.06
IUPAC Name(E)-N-methyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]but-3-en-1-amine
SMILESCNCC/C=C/c1cnc(C(F)(F)F)s1
InChIInChI=1S/C9H11F3N2S/c1-13-5-3-2-4-7-6-14-8(15-7)9(10,11)12/h2,4,6,13H,3,5H2,1H3/b4-2+
InChIKeyAQNKQRVNTNFVKE-DUXPYHPUSA-N
XLogP2.78
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-N-methyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]but-3-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
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
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

Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]but-3-en-1-amine?
The IUPAC name of (E)-N-methyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]but-3-en-1-amine (CID 106784472) is (E)-N-methyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]but-3-en-1-amine.
What is the SMILES notation for (E)-N-methyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]but-3-en-1-amine?
The canonical SMILES for (E)-N-methyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]but-3-en-1-amine is CNCC/C=C/c1cnc(C(F)(F)F)s1.
What is the InChIKey of (E)-N-methyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]but-3-en-1-amine?
The InChIKey is AQNKQRVNTNFVKE-DUXPYHPUSA-N. The full InChI is InChI=1S/C9H11F3N2S/c1-13-5-3-2-4-7-6-14-8(15-7)9(10,11)12/h2,4,6,13H,3,5H2,1H3/b4-2+.
What are the key properties of (E)-N-methyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]but-3-en-1-amine?
(E)-N-methyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]but-3-en-1-amine has a molecular weight of 236.26 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]but-3-en-1-amine is sourced from PubChem (CID 106784472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).