4-[(E)-1-(dimethylamino)pent-2-en-3-yl]-3H-1,3-thiazole-2-thione

C10H16N2S2 — CID 71160900

IUPAC4-[(E)-1-(dimethylamino)pent-2-en-3-yl]-3H-1,3-thiazole-2-thione
SMILESCC/C(=C\CN(C)C)c1csc(=S)[nH]1
InChIInChI=1S/C10H16N2S2/c1-4-8(5-6-12(2)3)9-7-14-10(13)11-9/h5,7H,4,6H2,1-3H3,(H,11,13)/b8-5+
InChIKeyZCBLSZFNTMZVBV-VMPITWQZSA-N
MW228.39 g/mol
LogP3.16
Rot. Bonds4

About 4-[(E)-1-(dimethylamino)pent-2-en-3-yl]-3H-1,3-thiazole-2-thione

4-[(E)-1-(dimethylamino)pent-2-en-3-yl]-3H-1,3-thiazole-2-thione (PubChem CID 71160900) has the molecular formula C10H16N2S2 and a molecular weight of 228.39 g/mol. Its IUPAC name is 4-[(E)-1-(dimethylamino)pent-2-en-3-yl]-3H-1,3-thiazole-2-thione.

Molecular Properties

Compound Name4-[(E)-1-(dimethylamino)pent-2-en-3-yl]-3H-1,3-thiazole-2-thione
PubChem CID71160900
Molecular FormulaC10H16N2S2
Molecular Weight228.39 g/mol
Exact Mass228.08
IUPAC Name4-[(E)-1-(dimethylamino)pent-2-en-3-yl]-3H-1,3-thiazole-2-thione
SMILESCC/C(=C\CN(C)C)c1csc(=S)[nH]1
InChIInChI=1S/C10H16N2S2/c1-4-8(5-6-12(2)3)9-7-14-10(13)11-9/h5,7H,4,6H2,1-3H3,(H,11,13)/b8-5+
InChIKeyZCBLSZFNTMZVBV-VMPITWQZSA-N
XLogP3.16
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.39
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-1-(dimethylamino)pent-2-en-3-yl]-3H-1,3-thiazole-2-thione?
The IUPAC name of 4-[(E)-1-(dimethylamino)pent-2-en-3-yl]-3H-1,3-thiazole-2-thione (CID 71160900) is 4-[(E)-1-(dimethylamino)pent-2-en-3-yl]-3H-1,3-thiazole-2-thione.
What is the SMILES notation for 4-[(E)-1-(dimethylamino)pent-2-en-3-yl]-3H-1,3-thiazole-2-thione?
The canonical SMILES for 4-[(E)-1-(dimethylamino)pent-2-en-3-yl]-3H-1,3-thiazole-2-thione is CC/C(=C\CN(C)C)c1csc(=S)[nH]1.
What is the InChIKey of 4-[(E)-1-(dimethylamino)pent-2-en-3-yl]-3H-1,3-thiazole-2-thione?
The InChIKey is ZCBLSZFNTMZVBV-VMPITWQZSA-N. The full InChI is InChI=1S/C10H16N2S2/c1-4-8(5-6-12(2)3)9-7-14-10(13)11-9/h5,7H,4,6H2,1-3H3,(H,11,13)/b8-5+.
What are the key properties of 4-[(E)-1-(dimethylamino)pent-2-en-3-yl]-3H-1,3-thiazole-2-thione?
4-[(E)-1-(dimethylamino)pent-2-en-3-yl]-3H-1,3-thiazole-2-thione has a molecular weight of 228.39 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-1-(dimethylamino)pent-2-en-3-yl]-3H-1,3-thiazole-2-thione is sourced from PubChem (CID 71160900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).