4-(5-cyclopentylthiophen-2-yl)-1,3-dihydroimidazole-2-thione

C12H14N2S2 — CID 25143092

IUPAC4-(5-cyclopentylthiophen-2-yl)-1,3-dihydroimidazole-2-thione
SMILESS=c1[nH]cc(-c2ccc(C3CCCC3)s2)[nH]1
InChIInChI=1S/C12H14N2S2/c15-12-13-7-9(14-12)11-6-5-10(16-11)8-3-1-2-4-8/h5-8H,1-4H2,(H2,13,14,15)
InChIKeyLINWJVQXNOFJBG-UHFFFAOYSA-N
MW250.39 g/mol
LogP4.46
Rot. Bonds2

About 4-(5-cyclopentylthiophen-2-yl)-1,3-dihydroimidazole-2-thione

4-(5-cyclopentylthiophen-2-yl)-1,3-dihydroimidazole-2-thione (PubChem CID 25143092) has the molecular formula C12H14N2S2 and a molecular weight of 250.39 g/mol. Its IUPAC name is 4-(5-cyclopentylthiophen-2-yl)-1,3-dihydroimidazole-2-thione.

Molecular Properties

Compound Name4-(5-cyclopentylthiophen-2-yl)-1,3-dihydroimidazole-2-thione
PubChem CID25143092
Molecular FormulaC12H14N2S2
Molecular Weight250.39 g/mol
Exact Mass250.06
IUPAC Name4-(5-cyclopentylthiophen-2-yl)-1,3-dihydroimidazole-2-thione
SMILESS=c1[nH]cc(-c2ccc(C3CCCC3)s2)[nH]1
InChIInChI=1S/C12H14N2S2/c15-12-13-7-9(14-12)11-6-5-10(16-11)8-3-1-2-4-8/h5-8H,1-4H2,(H2,13,14,15)
InChIKeyLINWJVQXNOFJBG-UHFFFAOYSA-N
XLogP4.46
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(5-cyclopentylthiophen-2-yl)-1,3-dihydroimidazole-2-thione?
The IUPAC name of 4-(5-cyclopentylthiophen-2-yl)-1,3-dihydroimidazole-2-thione (CID 25143092) is 4-(5-cyclopentylthiophen-2-yl)-1,3-dihydroimidazole-2-thione.
What is the SMILES notation for 4-(5-cyclopentylthiophen-2-yl)-1,3-dihydroimidazole-2-thione?
The canonical SMILES for 4-(5-cyclopentylthiophen-2-yl)-1,3-dihydroimidazole-2-thione is S=c1[nH]cc(-c2ccc(C3CCCC3)s2)[nH]1.
What is the InChIKey of 4-(5-cyclopentylthiophen-2-yl)-1,3-dihydroimidazole-2-thione?
The InChIKey is LINWJVQXNOFJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2S2/c15-12-13-7-9(14-12)11-6-5-10(16-11)8-3-1-2-4-8/h5-8H,1-4H2,(H2,13,14,15).
What are the key properties of 4-(5-cyclopentylthiophen-2-yl)-1,3-dihydroimidazole-2-thione?
4-(5-cyclopentylthiophen-2-yl)-1,3-dihydroimidazole-2-thione has a molecular weight of 250.39 g/mol, XLogP of 4.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyclopentylthiophen-2-yl)-1,3-dihydroimidazole-2-thione is sourced from PubChem (CID 25143092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).