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

C11H15N3S2 — CID 81336281

IUPAC4-ethyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-imidazole-2-thione
SMILESCCc1c[nH]c(=S)n1C(C)c1nc(C)cs1
InChIInChI=1S/C11H15N3S2/c1-4-9-5-12-11(15)14(9)8(3)10-13-7(2)6-16-10/h5-6,8H,4H2,1-3H3,(H,12,15)
InChIKeyMZAROHJMBDOLJC-UHFFFAOYSA-N
MW253.40 g/mol
LogP3.48
Rot. Bonds3

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

4-ethyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-imidazole-2-thione (PubChem CID 81336281) has the molecular formula C11H15N3S2 and a molecular weight of 253.40 g/mol. Its IUPAC name is 4-ethyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-imidazole-2-thione.

Molecular Properties

Compound Name4-ethyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-imidazole-2-thione
PubChem CID81336281
Molecular FormulaC11H15N3S2
Molecular Weight253.40 g/mol
Exact Mass253.07
IUPAC Name4-ethyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-imidazole-2-thione
SMILESCCc1c[nH]c(=S)n1C(C)c1nc(C)cs1
InChIInChI=1S/C11H15N3S2/c1-4-9-5-12-11(15)14(9)8(3)10-13-7(2)6-16-10/h5-6,8H,4H2,1-3H3,(H,12,15)
InChIKeyMZAROHJMBDOLJC-UHFFFAOYSA-N
XLogP3.48
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.40
LogP ≤ 53.48
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-ethyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-imidazole-2-thione?
The IUPAC name of 4-ethyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-imidazole-2-thione (CID 81336281) is 4-ethyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-imidazole-2-thione.
What is the SMILES notation for 4-ethyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-imidazole-2-thione?
The canonical SMILES for 4-ethyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-imidazole-2-thione is CCc1c[nH]c(=S)n1C(C)c1nc(C)cs1.
What is the InChIKey of 4-ethyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-imidazole-2-thione?
The InChIKey is MZAROHJMBDOLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S2/c1-4-9-5-12-11(15)14(9)8(3)10-13-7(2)6-16-10/h5-6,8H,4H2,1-3H3,(H,12,15).
What are the key properties of 4-ethyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-imidazole-2-thione?
4-ethyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-imidazole-2-thione has a molecular weight of 253.40 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-imidazole-2-thione is sourced from PubChem (CID 81336281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).