1-(4-methyl-1,3-thiazol-5-yl)-2-(trifluoromethyl)prop-2-en-1-amine

C8H9F3N2S — CID 130565104

IUPAC1-(4-methyl-1,3-thiazol-5-yl)-2-(trifluoromethyl)prop-2-en-1-amine
SMILESC=C(C(N)c1scnc1C)C(F)(F)F
InChIInChI=1S/C8H9F3N2S/c1-4(8(9,10)11)6(12)7-5(2)13-3-14-7/h3,6H,1,12H2,2H3
InChIKeyHRXQBIFWQMKOHV-UHFFFAOYSA-N
MW222.24 g/mol
LogP2.57
Rot. Bonds2

About 1-(4-methyl-1,3-thiazol-5-yl)-2-(trifluoromethyl)prop-2-en-1-amine

1-(4-methyl-1,3-thiazol-5-yl)-2-(trifluoromethyl)prop-2-en-1-amine (PubChem CID 130565104) has the molecular formula C8H9F3N2S and a molecular weight of 222.24 g/mol. Its IUPAC name is 1-(4-methyl-1,3-thiazol-5-yl)-2-(trifluoromethyl)prop-2-en-1-amine.

Molecular Properties

Compound Name1-(4-methyl-1,3-thiazol-5-yl)-2-(trifluoromethyl)prop-2-en-1-amine
PubChem CID130565104
Molecular FormulaC8H9F3N2S
Molecular Weight222.24 g/mol
Exact Mass222.04
IUPAC Name1-(4-methyl-1,3-thiazol-5-yl)-2-(trifluoromethyl)prop-2-en-1-amine
SMILESC=C(C(N)c1scnc1C)C(F)(F)F
InChIInChI=1S/C8H9F3N2S/c1-4(8(9,10)11)6(12)7-5(2)13-3-14-7/h3,6H,1,12H2,2H3
InChIKeyHRXQBIFWQMKOHV-UHFFFAOYSA-N
XLogP2.57
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methyl-1,3-thiazol-5-yl)propan-1-amine
CID 82416051
(4-methyl-1,3-thiazol-5-yl)-[2-(trifluoromethyl)phenyl]methanamine
CID 105145408
[5,5,5-trifluoro-1-(4-methyl-1,3-thiazol-5-yl)pentyl]hydrazine
CID 105328896
2-ethyl-1-(4-methyl-1,3-thiazol-5-yl)butan-1-amine
CID 105168486
(S)-(4-methyl-1,3-thiazol-5-yl)-phenylmethanamine
CID 10130445
2-methoxy-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 82411798
(1-methylpyrazol-3-yl)-(4-methyl-1,3-thiazol-5-yl)methanamine
CID 103134636
N-ethyl-2-methyl-1-(4-methyl-1,3-thiazol-5-yl)prop-2-en-1-amine
CID 105163726
cyclobutyl-(4-methyl-1,3-thiazol-5-yl)methanamine
CID 83684010
(1R)-2-chloro-1-(4-methyl-1,3-thiazol-5-yl)ethanol
CID 101008965
(4-fluorophenyl)-(4-methyl-1,3-thiazol-5-yl)methanol
CID 22101844
2-(4-methyl-1,3-thiazol-5-yl)-2-sulfanylacetic acid
CID 21298330

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1,3-thiazol-5-yl)-2-(trifluoromethyl)prop-2-en-1-amine?
The IUPAC name of 1-(4-methyl-1,3-thiazol-5-yl)-2-(trifluoromethyl)prop-2-en-1-amine (CID 130565104) is 1-(4-methyl-1,3-thiazol-5-yl)-2-(trifluoromethyl)prop-2-en-1-amine.
What is the SMILES notation for 1-(4-methyl-1,3-thiazol-5-yl)-2-(trifluoromethyl)prop-2-en-1-amine?
The canonical SMILES for 1-(4-methyl-1,3-thiazol-5-yl)-2-(trifluoromethyl)prop-2-en-1-amine is C=C(C(N)c1scnc1C)C(F)(F)F.
What is the InChIKey of 1-(4-methyl-1,3-thiazol-5-yl)-2-(trifluoromethyl)prop-2-en-1-amine?
The InChIKey is HRXQBIFWQMKOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2S/c1-4(8(9,10)11)6(12)7-5(2)13-3-14-7/h3,6H,1,12H2,2H3.
What are the key properties of 1-(4-methyl-1,3-thiazol-5-yl)-2-(trifluoromethyl)prop-2-en-1-amine?
1-(4-methyl-1,3-thiazol-5-yl)-2-(trifluoromethyl)prop-2-en-1-amine has a molecular weight of 222.24 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1,3-thiazol-5-yl)-2-(trifluoromethyl)prop-2-en-1-amine is sourced from PubChem (CID 130565104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).