(Z)-N-methoxy-2-[2-[(S)-3,4,4-trifluorobut-3-enylsulfinyl]-1,3-thiazol-5-yl]ethanimine

C10H11F3N2O2S2 — CID 155226655

IUPAC(Z)-N-methoxy-2-[2-[(S)-3,4,4-trifluorobut-3-enylsulfinyl]-1,3-thiazol-5-yl]ethanimine
SMILESCO/N=C\Cc1cnc([S@@](=O)CCC(F)=C(F)F)s1
InChIInChI=1S/C10H11F3N2O2S2/c1-17-15-4-2-7-6-14-10(18-7)19(16)5-3-8(11)9(12)13/h4,6H,2-3,5H2,1H3/b15-4-/t19-/m0/s1
InChIKeyGXJYICAGVKEJAJ-BXPWKZNBSA-N
MW312.34 g/mol
LogP2.89
Rot. Bonds7

About (Z)-N-methoxy-2-[2-[(S)-3,4,4-trifluorobut-3-enylsulfinyl]-1,3-thiazol-5-yl]ethanimine

(Z)-N-methoxy-2-[2-[(S)-3,4,4-trifluorobut-3-enylsulfinyl]-1,3-thiazol-5-yl]ethanimine (PubChem CID 155226655) has the molecular formula C10H11F3N2O2S2 and a molecular weight of 312.34 g/mol. Its IUPAC name is (Z)-N-methoxy-2-[2-[(S)-3,4,4-trifluorobut-3-enylsulfinyl]-1,3-thiazol-5-yl]ethanimine.

Molecular Properties

Compound Name(Z)-N-methoxy-2-[2-[(S)-3,4,4-trifluorobut-3-enylsulfinyl]-1,3-thiazol-5-yl]ethanimine
PubChem CID155226655
Molecular FormulaC10H11F3N2O2S2
Molecular Weight312.34 g/mol
Exact Mass312.02
IUPAC Name(Z)-N-methoxy-2-[2-[(S)-3,4,4-trifluorobut-3-enylsulfinyl]-1,3-thiazol-5-yl]ethanimine
SMILESCO/N=C\Cc1cnc([S@@](=O)CCC(F)=C(F)F)s1
InChIInChI=1S/C10H11F3N2O2S2/c1-17-15-4-2-7-6-14-10(18-7)19(16)5-3-8(11)9(12)13/h4,6H,2-3,5H2,1H3/b15-4-/t19-/m0/s1
InChIKeyGXJYICAGVKEJAJ-BXPWKZNBSA-N
XLogP2.89
TPSA51.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (Z)-N-methoxy-2-[2-[(S)-3,4,4-trifluorobut-3-enylsulfinyl]-1,3-thiazol-5-yl]ethanimine with MolForge

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Related Compounds

2-(4,4-Difluorobut-3-enylsulfinyl)-5-methyl-1,3-thiazole
CID 21850574
2-(4,4-Difluorobut-3-enylsulfonyl)-5-methyl-1,3-thiazole
CID 21850599
[Methyl-oxo-[1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]-lambda6-sulfanylidene]cyanamide
CID 58088363
Cyano-methyl-[oxido-[1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]-lambda4-sulfanylidene]azanium
CID 87292246
Methyl-methylimino-oxo-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-yl]-lambda6-sulfane
CID 89288602
5-Methyl-2-(3,4,4-trifluorobut-3-enylsulfinyl)-1,3-thiazole
CID 147741392
(E)-N-(3-methylbutoxy)-1-[2-(3,4,4-trifluorobut-3-enylsulfinyl)-1,3-thiazol-5-yl]ethanimine
CID 149749622
(Z)-N-(3-methylbutoxy)-1-[2-(3,4,4-trifluorobut-3-enylsulfinyl)-1,3-thiazol-5-yl]ethanimine
CID 149749623
N-ethyl-1-[2-(3-fluoropropylsulfinyl)-1,3-thiazol-5-yl]methanimine oxide
CID 149824002
(E)-N-ethoxy-1-[2-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3-thiazol-5-yl]ethanimine
CID 149874216
(Z)-N-ethoxy-1-[2-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3-thiazol-5-yl]ethanimine
CID 149874217
(Z)-N-methoxy-1-[2-(3,4,4-trifluorobut-3-enylsulfinyl)-1,3-thiazol-5-yl]methanimine
CID 149905913

Frequently Asked Questions

What is the IUPAC name of (Z)-N-methoxy-2-[2-[(S)-3,4,4-trifluorobut-3-enylsulfinyl]-1,3-thiazol-5-yl]ethanimine?
The IUPAC name of (Z)-N-methoxy-2-[2-[(S)-3,4,4-trifluorobut-3-enylsulfinyl]-1,3-thiazol-5-yl]ethanimine (CID 155226655) is (Z)-N-methoxy-2-[2-[(S)-3,4,4-trifluorobut-3-enylsulfinyl]-1,3-thiazol-5-yl]ethanimine.
What is the SMILES notation for (Z)-N-methoxy-2-[2-[(S)-3,4,4-trifluorobut-3-enylsulfinyl]-1,3-thiazol-5-yl]ethanimine?
The canonical SMILES for (Z)-N-methoxy-2-[2-[(S)-3,4,4-trifluorobut-3-enylsulfinyl]-1,3-thiazol-5-yl]ethanimine is CO/N=C\Cc1cnc([S@@](=O)CCC(F)=C(F)F)s1.
What is the InChIKey of (Z)-N-methoxy-2-[2-[(S)-3,4,4-trifluorobut-3-enylsulfinyl]-1,3-thiazol-5-yl]ethanimine?
The InChIKey is GXJYICAGVKEJAJ-BXPWKZNBSA-N. The full InChI is InChI=1S/C10H11F3N2O2S2/c1-17-15-4-2-7-6-14-10(18-7)19(16)5-3-8(11)9(12)13/h4,6H,2-3,5H2,1H3/b15-4-/t19-/m0/s1.
What are the key properties of (Z)-N-methoxy-2-[2-[(S)-3,4,4-trifluorobut-3-enylsulfinyl]-1,3-thiazol-5-yl]ethanimine?
(Z)-N-methoxy-2-[2-[(S)-3,4,4-trifluorobut-3-enylsulfinyl]-1,3-thiazol-5-yl]ethanimine has a molecular weight of 312.34 g/mol, XLogP of 2.89, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methoxy-2-[2-[(S)-3,4,4-trifluorobut-3-enylsulfinyl]-1,3-thiazol-5-yl]ethanimine is sourced from PubChem (CID 155226655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).