3-[1-(5-methylthiophen-2-yl)propan-2-yl]-4-propan-2-yl-1H-imidazole-2-thione

C14H20N2S2 — CID 64864928

IUPAC3-[1-(5-methylthiophen-2-yl)propan-2-yl]-4-propan-2-yl-1H-imidazole-2-thione
SMILESCc1ccc(CC(C)n2c(C(C)C)c[nH]c2=S)s1
InChIInChI=1S/C14H20N2S2/c1-9(2)13-8-15-14(17)16(13)10(3)7-12-6-5-11(4)18-12/h5-6,8-10H,7H2,1-4H3,(H,15,17)
InChIKeyLKSQUCRVEICEIX-UHFFFAOYSA-N
MW280.46 g/mol
LogP4.84
Rot. Bonds4

About 3-[1-(5-methylthiophen-2-yl)propan-2-yl]-4-propan-2-yl-1H-imidazole-2-thione

3-[1-(5-methylthiophen-2-yl)propan-2-yl]-4-propan-2-yl-1H-imidazole-2-thione (PubChem CID 64864928) has the molecular formula C14H20N2S2 and a molecular weight of 280.46 g/mol. Its IUPAC name is 3-[1-(5-methylthiophen-2-yl)propan-2-yl]-4-propan-2-yl-1H-imidazole-2-thione.

Molecular Properties

Compound Name3-[1-(5-methylthiophen-2-yl)propan-2-yl]-4-propan-2-yl-1H-imidazole-2-thione
PubChem CID64864928
Molecular FormulaC14H20N2S2
Molecular Weight280.46 g/mol
Exact Mass280.11
IUPAC Name3-[1-(5-methylthiophen-2-yl)propan-2-yl]-4-propan-2-yl-1H-imidazole-2-thione
SMILESCc1ccc(CC(C)n2c(C(C)C)c[nH]c2=S)s1
InChIInChI=1S/C14H20N2S2/c1-9(2)13-8-15-14(17)16(13)10(3)7-12-6-5-11(4)18-12/h5-6,8-10H,7H2,1-4H3,(H,15,17)
InChIKeyLKSQUCRVEICEIX-UHFFFAOYSA-N
XLogP4.84
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 54.84
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 3-[1-(5-methylthiophen-2-yl)propan-2-yl]-4-propan-2-yl-1H-imidazole-2-thione?
The IUPAC name of 3-[1-(5-methylthiophen-2-yl)propan-2-yl]-4-propan-2-yl-1H-imidazole-2-thione (CID 64864928) is 3-[1-(5-methylthiophen-2-yl)propan-2-yl]-4-propan-2-yl-1H-imidazole-2-thione.
What is the SMILES notation for 3-[1-(5-methylthiophen-2-yl)propan-2-yl]-4-propan-2-yl-1H-imidazole-2-thione?
The canonical SMILES for 3-[1-(5-methylthiophen-2-yl)propan-2-yl]-4-propan-2-yl-1H-imidazole-2-thione is Cc1ccc(CC(C)n2c(C(C)C)c[nH]c2=S)s1.
What is the InChIKey of 3-[1-(5-methylthiophen-2-yl)propan-2-yl]-4-propan-2-yl-1H-imidazole-2-thione?
The InChIKey is LKSQUCRVEICEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2S2/c1-9(2)13-8-15-14(17)16(13)10(3)7-12-6-5-11(4)18-12/h5-6,8-10H,7H2,1-4H3,(H,15,17).
What are the key properties of 3-[1-(5-methylthiophen-2-yl)propan-2-yl]-4-propan-2-yl-1H-imidazole-2-thione?
3-[1-(5-methylthiophen-2-yl)propan-2-yl]-4-propan-2-yl-1H-imidazole-2-thione has a molecular weight of 280.46 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-methylthiophen-2-yl)propan-2-yl]-4-propan-2-yl-1H-imidazole-2-thione is sourced from PubChem (CID 64864928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).