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

C10H13F3N2S — CID 106784478

IUPAC(Z)-N-methyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-en-1-amine
SMILESCNCC/C=C(/C)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C10H13F3N2S/c1-7(4-3-5-14-2)8-6-15-9(16-8)10(11,12)13/h4,6,14H,3,5H2,1-2H3/b7-4-
InChIKeyXKZUGDLIVKVHJW-DAXSKMNVSA-N
MW250.29 g/mol
LogP3.17
Rot. Bonds4

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

(Z)-N-methyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-en-1-amine (PubChem CID 106784478) has the molecular formula C10H13F3N2S and a molecular weight of 250.29 g/mol. Its IUPAC name is (Z)-N-methyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-en-1-amine.

Molecular Properties

Compound Name(Z)-N-methyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-en-1-amine
PubChem CID106784478
Molecular FormulaC10H13F3N2S
Molecular Weight250.29 g/mol
Exact Mass250.08
IUPAC Name(Z)-N-methyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-en-1-amine
SMILESCNCC/C=C(/C)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C10H13F3N2S/c1-7(4-3-5-14-2)8-6-15-9(16-8)10(11,12)13/h4,6,14H,3,5H2,1-2H3/b7-4-
InChIKeyXKZUGDLIVKVHJW-DAXSKMNVSA-N
XLogP3.17
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 53.17
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

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CID 130390600
5-[(1E,3E)-2,3-difluoropenta-1,3-dienyl]-2-methyl-1,3-thiazole
CID 145018659
2-(1,1-Difluoroethyl)-5-prop-1-en-2-yl-1,3-thiazole
CID 156717485
[(4Z,6Z)-7-fluoro-2-methyl-6-(2-methyl-1,3-thiazol-5-yl)octa-2,4,6-trien-3-yl]-trimethylstannane
CID 167503536
5-[2-(Azetidin-3-yl)ethenyl]-2-(trifluoromethyl)-1,3-thiazole
CID 171093011
5-(3-Methylbut-2-en-2-yl)-2-propyl-1,3-thiazole
CID 101848667
2-[2-(2-Fluoropropan-2-yl)-1,3-thiazol-5-yl]ethanamine
CID 84770832
2-[2-(1,1-Difluoroethyl)-1,3-thiazol-5-yl]ethanamine
CID 84772381
2-[2-(difluoromethyl)-1,3-thiazol-5-yl]-N-methylethanamine
CID 84772384
2-[2-(2-fluoropropan-2-yl)-1,3-thiazol-5-yl]-N-methylethanamine
CID 84776936
2-[5-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-N-methylethanamine
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Frequently Asked Questions

What is the IUPAC name of (Z)-N-methyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-en-1-amine?
The IUPAC name of (Z)-N-methyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-en-1-amine (CID 106784478) is (Z)-N-methyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-en-1-amine.
What is the SMILES notation for (Z)-N-methyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-en-1-amine?
The canonical SMILES for (Z)-N-methyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-en-1-amine is CNCC/C=C(/C)c1cnc(C(F)(F)F)s1.
What is the InChIKey of (Z)-N-methyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-en-1-amine?
The InChIKey is XKZUGDLIVKVHJW-DAXSKMNVSA-N. The full InChI is InChI=1S/C10H13F3N2S/c1-7(4-3-5-14-2)8-6-15-9(16-8)10(11,12)13/h4,6,14H,3,5H2,1-2H3/b7-4-.
What are the key properties of (Z)-N-methyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-en-1-amine?
(Z)-N-methyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-en-1-amine has a molecular weight of 250.29 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-en-1-amine is sourced from PubChem (CID 106784478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).