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

C12H17F3N2OS — CID 106784484

IUPAC(Z)-N-(2-methoxyethyl)-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-en-1-amine
SMILESCOCCNCC/C=C(/C)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C12H17F3N2OS/c1-9(4-3-5-16-6-7-18-2)10-8-17-11(19-10)12(13,14)15/h4,8,16H,3,5-7H2,1-2H3/b9-4-
InChIKeyKACAFJZQYRFXAK-WTKPLQERSA-N
MW294.34 g/mol
LogP3.19
Rot. Bonds7

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

(Z)-N-(2-methoxyethyl)-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-en-1-amine (PubChem CID 106784484) has the molecular formula C12H17F3N2OS and a molecular weight of 294.34 g/mol. Its IUPAC name is (Z)-N-(2-methoxyethyl)-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-en-1-amine.

Molecular Properties

Compound Name(Z)-N-(2-methoxyethyl)-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-en-1-amine
PubChem CID106784484
Molecular FormulaC12H17F3N2OS
Molecular Weight294.34 g/mol
Exact Mass294.10
IUPAC Name(Z)-N-(2-methoxyethyl)-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-en-1-amine
SMILESCOCCNCC/C=C(/C)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C12H17F3N2OS/c1-9(4-3-5-16-6-7-18-2)10-8-17-11(19-10)12(13,14)15/h4,8,16H,3,5-7H2,1-2H3/b9-4-
InChIKeyKACAFJZQYRFXAK-WTKPLQERSA-N
XLogP3.19
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(2-methoxyethyl)-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-en-1-amine?
The IUPAC name of (Z)-N-(2-methoxyethyl)-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-en-1-amine (CID 106784484) is (Z)-N-(2-methoxyethyl)-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-en-1-amine.
What is the SMILES notation for (Z)-N-(2-methoxyethyl)-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-en-1-amine?
The canonical SMILES for (Z)-N-(2-methoxyethyl)-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-en-1-amine is COCCNCC/C=C(/C)c1cnc(C(F)(F)F)s1.
What is the InChIKey of (Z)-N-(2-methoxyethyl)-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-en-1-amine?
The InChIKey is KACAFJZQYRFXAK-WTKPLQERSA-N. The full InChI is InChI=1S/C12H17F3N2OS/c1-9(4-3-5-16-6-7-18-2)10-8-17-11(19-10)12(13,14)15/h4,8,16H,3,5-7H2,1-2H3/b9-4-.
What are the key properties of (Z)-N-(2-methoxyethyl)-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-en-1-amine?
(Z)-N-(2-methoxyethyl)-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-en-1-amine has a molecular weight of 294.34 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(2-methoxyethyl)-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-en-1-amine is sourced from PubChem (CID 106784484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).