1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3H-imidazo[4,5-c]pyridine-2-thione

C12H12N4OS — CID 79292483

IUPAC1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3H-imidazo[4,5-c]pyridine-2-thione
SMILESCc1noc(C)c1Cn1c(=S)[nH]c2cnccc21
InChIInChI=1S/C12H12N4OS/c1-7-9(8(2)17-15-7)6-16-11-3-4-13-5-10(11)14-12(16)18/h3-5H,6H2,1-2H3,(H,14,18)
InChIKeyYBPBQVCSKOOXLN-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.75
Rot. Bonds2

About 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3H-imidazo[4,5-c]pyridine-2-thione

1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3H-imidazo[4,5-c]pyridine-2-thione (PubChem CID 79292483) has the molecular formula C12H12N4OS and a molecular weight of 260.32 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3H-imidazo[4,5-c]pyridine-2-thione.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3H-imidazo[4,5-c]pyridine-2-thione
PubChem CID79292483
Molecular FormulaC12H12N4OS
Molecular Weight260.32 g/mol
Exact Mass260.07
IUPAC Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3H-imidazo[4,5-c]pyridine-2-thione
SMILESCc1noc(C)c1Cn1c(=S)[nH]c2cnccc21
InChIInChI=1S/C12H12N4OS/c1-7-9(8(2)17-15-7)6-16-11-3-4-13-5-10(11)14-12(16)18/h3-5H,6H2,1-2H3,(H,14,18)
InChIKeyYBPBQVCSKOOXLN-UHFFFAOYSA-N
XLogP2.75
TPSA59.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-fluoro-1H-benzimidazole-2-thione
CID 79241740
5-chloro-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1H-benzimidazole-2-thione
CID 115470175
6-bromo-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-fluoro-1H-benzimidazole-2-thione
CID 79241977
1-[(3-methyl-2-pyridinyl)methyl]-3H-imidazo[4,5-c]pyridine-2-thione
CID 79296475
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methoxy-1H-imidazo[4,5-b]pyridine-2-thione
CID 115322004
1-(3-methylbut-2-enyl)-3H-imidazo[4,5-c]pyridine-2-thione
CID 106185000
1-[2-(dimethylamino)-2-methylpropyl]-3H-imidazo[4,5-c]pyridine-2-thione
CID 79295384
1-[2-(2-methylpyrazol-3-yl)ethyl]-3H-imidazo[4,5-c]pyridine-2-thione
CID 103008252
1-[(3,4-difluorophenyl)methyl]-3H-imidazo[4,5-c]pyridine-2-thione
CID 79296374
1-[2-(2-methylphenyl)ethyl]-3H-imidazo[4,5-c]pyridine-2-thione
CID 79756408
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3H-imidazo[4,5-c]pyridine-2-thione
CID 114537953
1-(2-piperidin-1-ylethyl)-3H-imidazo[4,5-c]pyridine-2-thione
CID 24839155

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3H-imidazo[4,5-c]pyridine-2-thione?
The IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3H-imidazo[4,5-c]pyridine-2-thione (CID 79292483) is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3H-imidazo[4,5-c]pyridine-2-thione.
What is the SMILES notation for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3H-imidazo[4,5-c]pyridine-2-thione?
The canonical SMILES for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3H-imidazo[4,5-c]pyridine-2-thione is Cc1noc(C)c1Cn1c(=S)[nH]c2cnccc21.
What is the InChIKey of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3H-imidazo[4,5-c]pyridine-2-thione?
The InChIKey is YBPBQVCSKOOXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4OS/c1-7-9(8(2)17-15-7)6-16-11-3-4-13-5-10(11)14-12(16)18/h3-5H,6H2,1-2H3,(H,14,18).
What are the key properties of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3H-imidazo[4,5-c]pyridine-2-thione?
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3H-imidazo[4,5-c]pyridine-2-thione has a molecular weight of 260.32 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3H-imidazo[4,5-c]pyridine-2-thione is sourced from PubChem (CID 79292483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).