(Z)-N-ethyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-en-1-amine

C11H15F3N2S — CID 106784479

IUPAC(Z)-N-ethyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-en-1-amine
SMILESCCNCC/C=C(/C)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C11H15F3N2S/c1-3-15-6-4-5-8(2)9-7-16-10(17-9)11(12,13)14/h5,7,15H,3-4,6H2,1-2H3/b8-5-
InChIKeyXOJBPZXQAZPYSA-YVMONPNESA-N
MW264.32 g/mol
LogP3.56
Rot. Bonds5

About (Z)-N-ethyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-en-1-amine

(Z)-N-ethyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-en-1-amine (PubChem CID 106784479) has the molecular formula C11H15F3N2S and a molecular weight of 264.32 g/mol. Its IUPAC name is (Z)-N-ethyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-en-1-amine.

Molecular Properties

Compound Name(Z)-N-ethyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-en-1-amine
PubChem CID106784479
Molecular FormulaC11H15F3N2S
Molecular Weight264.32 g/mol
Exact Mass264.09
IUPAC Name(Z)-N-ethyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-en-1-amine
SMILESCCNCC/C=C(/C)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C11H15F3N2S/c1-3-15-6-4-5-8(2)9-7-16-10(17-9)11(12,13)14/h5,7,15H,3-4,6H2,1-2H3/b8-5-
InChIKeyXOJBPZXQAZPYSA-YVMONPNESA-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

3-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one
CID 106782430
2-(tert-butylamino)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
CID 106784739
2-amino-2-ethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one
CID 106784750
4-(methylamino)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one
CID 106784647
2-(prop-2-ynylamino)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
CID 106784740
2-(diethylamino)-2-ethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one
CID 106782562
4-(3,4-dimethoxyphenyl)-N-ethylpent-3-en-1-amine
CID 79597937
3-propoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one
CID 106784989
2-amino-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-one
CID 106784643
4-(2,3-difluorophenyl)-N-ethylpent-3-en-1-amine
CID 79599095
(E)-N-ethyl-4-(3-propyltriazol-4-yl)pent-3-en-1-amine
CID 114691329
2-ethoxy-2-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one
CID 106782652

Frequently Asked Questions

What is the IUPAC name of (Z)-N-ethyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-en-1-amine?
The IUPAC name of (Z)-N-ethyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-en-1-amine (CID 106784479) is (Z)-N-ethyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-en-1-amine.
What is the SMILES notation for (Z)-N-ethyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-en-1-amine?
The canonical SMILES for (Z)-N-ethyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-en-1-amine is CCNCC/C=C(/C)c1cnc(C(F)(F)F)s1.
What is the InChIKey of (Z)-N-ethyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-en-1-amine?
The InChIKey is XOJBPZXQAZPYSA-YVMONPNESA-N. The full InChI is InChI=1S/C11H15F3N2S/c1-3-15-6-4-5-8(2)9-7-16-10(17-9)11(12,13)14/h5,7,15H,3-4,6H2,1-2H3/b8-5-.
What are the key properties of (Z)-N-ethyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-en-1-amine?
(Z)-N-ethyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-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 (Z)-N-ethyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-en-1-amine is sourced from PubChem (CID 106784479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).