4-propan-2-yl-3-[2-(1,3-thiazol-4-yl)ethyl]-1H-imidazole-2-thione

C11H15N3S2 — CID 64863188

IUPAC4-propan-2-yl-3-[2-(1,3-thiazol-4-yl)ethyl]-1H-imidazole-2-thione
SMILESCC(C)c1c[nH]c(=S)n1CCc1cscn1
InChIInChI=1S/C11H15N3S2/c1-8(2)10-5-12-11(15)14(10)4-3-9-6-16-7-13-9/h5-8H,3-4H2,1-2H3,(H,12,15)
InChIKeyGILUXZPPJBHVIK-UHFFFAOYSA-N
MW253.40 g/mol
LogP3.37
Rot. Bonds4

About 4-propan-2-yl-3-[2-(1,3-thiazol-4-yl)ethyl]-1H-imidazole-2-thione

4-propan-2-yl-3-[2-(1,3-thiazol-4-yl)ethyl]-1H-imidazole-2-thione (PubChem CID 64863188) has the molecular formula C11H15N3S2 and a molecular weight of 253.40 g/mol. Its IUPAC name is 4-propan-2-yl-3-[2-(1,3-thiazol-4-yl)ethyl]-1H-imidazole-2-thione.

Molecular Properties

Compound Name4-propan-2-yl-3-[2-(1,3-thiazol-4-yl)ethyl]-1H-imidazole-2-thione
PubChem CID64863188
Molecular FormulaC11H15N3S2
Molecular Weight253.40 g/mol
Exact Mass253.07
IUPAC Name4-propan-2-yl-3-[2-(1,3-thiazol-4-yl)ethyl]-1H-imidazole-2-thione
SMILESCC(C)c1c[nH]c(=S)n1CCc1cscn1
InChIInChI=1S/C11H15N3S2/c1-8(2)10-5-12-11(15)14(10)4-3-9-6-16-7-13-9/h5-8H,3-4H2,1-2H3,(H,12,15)
InChIKeyGILUXZPPJBHVIK-UHFFFAOYSA-N
XLogP3.37
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.40
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-propan-2-yl-3-[2-(1,3-thiazol-4-yl)ethyl]-1H-imidazole-2-thione?
The IUPAC name of 4-propan-2-yl-3-[2-(1,3-thiazol-4-yl)ethyl]-1H-imidazole-2-thione (CID 64863188) is 4-propan-2-yl-3-[2-(1,3-thiazol-4-yl)ethyl]-1H-imidazole-2-thione.
What is the SMILES notation for 4-propan-2-yl-3-[2-(1,3-thiazol-4-yl)ethyl]-1H-imidazole-2-thione?
The canonical SMILES for 4-propan-2-yl-3-[2-(1,3-thiazol-4-yl)ethyl]-1H-imidazole-2-thione is CC(C)c1c[nH]c(=S)n1CCc1cscn1.
What is the InChIKey of 4-propan-2-yl-3-[2-(1,3-thiazol-4-yl)ethyl]-1H-imidazole-2-thione?
The InChIKey is GILUXZPPJBHVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S2/c1-8(2)10-5-12-11(15)14(10)4-3-9-6-16-7-13-9/h5-8H,3-4H2,1-2H3,(H,12,15).
What are the key properties of 4-propan-2-yl-3-[2-(1,3-thiazol-4-yl)ethyl]-1H-imidazole-2-thione?
4-propan-2-yl-3-[2-(1,3-thiazol-4-yl)ethyl]-1H-imidazole-2-thione has a molecular weight of 253.40 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-3-[2-(1,3-thiazol-4-yl)ethyl]-1H-imidazole-2-thione is sourced from PubChem (CID 64863188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).