3-amino-5-(4-methoxyphenyl)-4-methyl-1H-imidazole-2-thione

C11H13N3OS — CID 96595463

IUPAC3-amino-5-(4-methoxyphenyl)-4-methyl-1H-imidazole-2-thione
SMILESCOc1ccc(-c2[nH]c(=S)n(N)c2C)cc1
InChIInChI=1S/C11H13N3OS/c1-7-10(13-11(16)14(7)12)8-3-5-9(15-2)6-4-8/h3-6H,12H2,1-2H3,(H,13,16)
InChIKeyTUGSZRCUUOBIOT-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.24
Rot. Bonds2

About 3-amino-5-(4-methoxyphenyl)-4-methyl-1H-imidazole-2-thione

3-amino-5-(4-methoxyphenyl)-4-methyl-1H-imidazole-2-thione (PubChem CID 96595463) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 3-amino-5-(4-methoxyphenyl)-4-methyl-1H-imidazole-2-thione.

Molecular Properties

Compound Name3-amino-5-(4-methoxyphenyl)-4-methyl-1H-imidazole-2-thione
PubChem CID96595463
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name3-amino-5-(4-methoxyphenyl)-4-methyl-1H-imidazole-2-thione
SMILESCOc1ccc(-c2[nH]c(=S)n(N)c2C)cc1
InChIInChI=1S/C11H13N3OS/c1-7-10(13-11(16)14(7)12)8-3-5-9(15-2)6-4-8/h3-6H,12H2,1-2H3,(H,13,16)
InChIKeyTUGSZRCUUOBIOT-UHFFFAOYSA-N
XLogP2.24
TPSA55.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-4-(4-methoxyphenyl)-3H-1,3-thiazole-2-thione
CID 28805707
1-(113C)methoxy-4-methylbenzene
CID 166176950
3-(4-bromophenyl)-5-(4-methoxyphenyl)-1H-imidazole-2-thione
CID 4277741
4-amino-3-(2-bromo-4-methoxyphenyl)-1H-1,2,4-triazole-5-thione
CID 59052418
4-amino-6-(4-methoxyphenyl)-2-sulfanylidene-1H-pyrimidine-5-carbonitrile
CID 11572440
3-(4-methoxyphenyl)-4-phenyl-1H-1,2,4-triazole-5-thione
CID 764320
methane;1-methoxy-4-(4-methylphenyl)benzene
CID 159881054
4-amino-3-(2-fluoro-4-methoxyphenyl)-1H-1,2,4-triazole-5-thione
CID 102883560
4,5-bis(4-methoxyphenyl)-2-(4-methylphenyl)-1H-imidazole
CID 1101727
CID 102206658
CID 102206658
2-(4-methoxyphenyl)-5-(4-methylphenyl)-1H-imidazole-4-thiol
CID 23904808
3,4-bis(4-methoxyphenyl)-1H-imidazole-2-thione
CID 18524150

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(4-methoxyphenyl)-4-methyl-1H-imidazole-2-thione?
The IUPAC name of 3-amino-5-(4-methoxyphenyl)-4-methyl-1H-imidazole-2-thione (CID 96595463) is 3-amino-5-(4-methoxyphenyl)-4-methyl-1H-imidazole-2-thione.
What is the SMILES notation for 3-amino-5-(4-methoxyphenyl)-4-methyl-1H-imidazole-2-thione?
The canonical SMILES for 3-amino-5-(4-methoxyphenyl)-4-methyl-1H-imidazole-2-thione is COc1ccc(-c2[nH]c(=S)n(N)c2C)cc1.
What is the InChIKey of 3-amino-5-(4-methoxyphenyl)-4-methyl-1H-imidazole-2-thione?
The InChIKey is TUGSZRCUUOBIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-7-10(13-11(16)14(7)12)8-3-5-9(15-2)6-4-8/h3-6H,12H2,1-2H3,(H,13,16).
What are the key properties of 3-amino-5-(4-methoxyphenyl)-4-methyl-1H-imidazole-2-thione?
3-amino-5-(4-methoxyphenyl)-4-methyl-1H-imidazole-2-thione has a molecular weight of 235.31 g/mol, XLogP of 2.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(4-methoxyphenyl)-4-methyl-1H-imidazole-2-thione is sourced from PubChem (CID 96595463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).