methyl-[(E)-4-methyl-5-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)pent-4-enylidene]-λ3-iodane

C11H18INS — CID 142019166

IUPACmethyl-[(E)-4-methyl-5-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)pent-4-enylidene]-λ3-iodane
SMILESC/I=C/CC/C(C)=C/C1=CSC(C)N1
InChIInChI=1S/C11H18INS/c1-9(5-4-6-12-3)7-11-8-14-10(2)13-11/h6-8,10,13H,4-5H2,1-3H3/b9-7+
InChIKeyXVVWGADZVGSQSC-VQHVLOKHSA-N
MW323.24 g/mol
LogP3.64
Rot. Bonds4

About methyl-[(E)-4-methyl-5-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)pent-4-enylidene]-λ3-iodane

methyl-[(E)-4-methyl-5-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)pent-4-enylidene]-λ3-iodane (PubChem CID 142019166) has the molecular formula C11H18INS and a molecular weight of 323.24 g/mol. Its IUPAC name is methyl-[(E)-4-methyl-5-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)pent-4-enylidene]-λ3-iodane.

Molecular Properties

Compound Namemethyl-[(E)-4-methyl-5-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)pent-4-enylidene]-λ3-iodane
PubChem CID142019166
Molecular FormulaC11H18INS
Molecular Weight323.24 g/mol
Exact Mass323.02
IUPAC Namemethyl-[(E)-4-methyl-5-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)pent-4-enylidene]-λ3-iodane
SMILESC/I=C/CC/C(C)=C/C1=CSC(C)N1
InChIInChI=1S/C11H18INS/c1-9(5-4-6-12-3)7-11-8-14-10(2)13-11/h6-8,10,13H,4-5H2,1-3H3/b9-7+
InChIKeyXVVWGADZVGSQSC-VQHVLOKHSA-N
XLogP3.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.24
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-4-[(1E,3S,5Z)-2,3,6-trimethylocta-1,5-dienyl]-2,3-dihydro-1,3-thiazole
CID 59084386
(2S)-3-methylidene-2-(2-methylsulfanylethyl)-5-propyl-1,2-dihydropyrrole
CID 118401251
(4E)-4-[(Z)-3-methylhex-2-enylidene]-1,3-thiazolidine
CID 141971926
2-methyl-4-[(E)-2-methylbut-1-enyl]-2,3-dihydro-1,3-thiazole
CID 143124042
(1Z,3E)-2-N-ethyl-4,8-dimethyl-1-methylsulfanylnona-1,3,7-triene-2,5-diamine
CID 142083730

Frequently Asked Questions

What is the IUPAC name of methyl-[(E)-4-methyl-5-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)pent-4-enylidene]-λ3-iodane?
The IUPAC name of methyl-[(E)-4-methyl-5-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)pent-4-enylidene]-λ3-iodane (CID 142019166) is methyl-[(E)-4-methyl-5-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)pent-4-enylidene]-λ3-iodane.
What is the SMILES notation for methyl-[(E)-4-methyl-5-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)pent-4-enylidene]-λ3-iodane?
The canonical SMILES for methyl-[(E)-4-methyl-5-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)pent-4-enylidene]-λ3-iodane is C/I=C/CC/C(C)=C/C1=CSC(C)N1.
What is the InChIKey of methyl-[(E)-4-methyl-5-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)pent-4-enylidene]-λ3-iodane?
The InChIKey is XVVWGADZVGSQSC-VQHVLOKHSA-N. The full InChI is InChI=1S/C11H18INS/c1-9(5-4-6-12-3)7-11-8-14-10(2)13-11/h6-8,10,13H,4-5H2,1-3H3/b9-7+.
What are the key properties of methyl-[(E)-4-methyl-5-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)pent-4-enylidene]-λ3-iodane?
methyl-[(E)-4-methyl-5-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)pent-4-enylidene]-λ3-iodane has a molecular weight of 323.24 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[(E)-4-methyl-5-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)pent-4-enylidene]-λ3-iodane is sourced from PubChem (CID 142019166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).