4-ethenyl-5-[(1Z)-3-methylpenta-1,4-dienyl]-1,3-dihydroimidazole-2-thione

C11H14N2S — CID 142213206

IUPAC4-ethenyl-5-[(1Z)-3-methylpenta-1,4-dienyl]-1,3-dihydroimidazole-2-thione
SMILESC=Cc1[nH]c(=S)[nH]c1/C=C\C(C)C=C
InChIInChI=1S/C11H14N2S/c1-4-8(3)6-7-10-9(5-2)12-11(14)13-10/h4-8H,1-2H2,3H3,(H2,12,13,14)/b7-6-
InChIKeyYKASFKUIIKLUAM-SREVYHEPSA-N
MW206.31 g/mol
LogP3.55
Rot. Bonds4

About 4-ethenyl-5-[(1Z)-3-methylpenta-1,4-dienyl]-1,3-dihydroimidazole-2-thione

4-ethenyl-5-[(1Z)-3-methylpenta-1,4-dienyl]-1,3-dihydroimidazole-2-thione (PubChem CID 142213206) has the molecular formula C11H14N2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 4-ethenyl-5-[(1Z)-3-methylpenta-1,4-dienyl]-1,3-dihydroimidazole-2-thione.

Molecular Properties

Compound Name4-ethenyl-5-[(1Z)-3-methylpenta-1,4-dienyl]-1,3-dihydroimidazole-2-thione
PubChem CID142213206
Molecular FormulaC11H14N2S
Molecular Weight206.31 g/mol
Exact Mass206.09
IUPAC Name4-ethenyl-5-[(1Z)-3-methylpenta-1,4-dienyl]-1,3-dihydroimidazole-2-thione
SMILESC=Cc1[nH]c(=S)[nH]c1/C=C\C(C)C=C
InChIInChI=1S/C11H14N2S/c1-4-8(3)6-7-10-9(5-2)12-11(14)13-10/h4-8H,1-2H2,3H3,(H2,12,13,14)/b7-6-
InChIKeyYKASFKUIIKLUAM-SREVYHEPSA-N
XLogP3.55
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-5-[(1Z)-3-methylpenta-1,4-dienyl]-1,3-dihydroimidazole-2-thione?
The IUPAC name of 4-ethenyl-5-[(1Z)-3-methylpenta-1,4-dienyl]-1,3-dihydroimidazole-2-thione (CID 142213206) is 4-ethenyl-5-[(1Z)-3-methylpenta-1,4-dienyl]-1,3-dihydroimidazole-2-thione.
What is the SMILES notation for 4-ethenyl-5-[(1Z)-3-methylpenta-1,4-dienyl]-1,3-dihydroimidazole-2-thione?
The canonical SMILES for 4-ethenyl-5-[(1Z)-3-methylpenta-1,4-dienyl]-1,3-dihydroimidazole-2-thione is C=Cc1[nH]c(=S)[nH]c1/C=C\C(C)C=C.
What is the InChIKey of 4-ethenyl-5-[(1Z)-3-methylpenta-1,4-dienyl]-1,3-dihydroimidazole-2-thione?
The InChIKey is YKASFKUIIKLUAM-SREVYHEPSA-N. The full InChI is InChI=1S/C11H14N2S/c1-4-8(3)6-7-10-9(5-2)12-11(14)13-10/h4-8H,1-2H2,3H3,(H2,12,13,14)/b7-6-.
What are the key properties of 4-ethenyl-5-[(1Z)-3-methylpenta-1,4-dienyl]-1,3-dihydroimidazole-2-thione?
4-ethenyl-5-[(1Z)-3-methylpenta-1,4-dienyl]-1,3-dihydroimidazole-2-thione has a molecular weight of 206.31 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-5-[(1Z)-3-methylpenta-1,4-dienyl]-1,3-dihydroimidazole-2-thione is sourced from PubChem (CID 142213206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).