(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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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).