2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N'-(4-methoxypyrimidin-2-yl)acetohydrazide

C18H20N6O2S — CID 55619783

IUPAC2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N'-(4-methoxypyrimidin-2-yl)acetohydrazide
SMILESCOc1ccnc(NNC(=O)CSc2nccn2-c2cc(C)ccc2C)n1
InChIInChI=1S/C18H20N6O2S/c1-12-4-5-13(2)14(10-12)24-9-8-20-18(24)27-11-15(25)22-23-17-19-7-6-16(21-17)26-3/h4-10H,11H2,1-3H3,(H,22,25)(H,19,21,23)
InChIKeyVWOLDIFOMZVFGY-UHFFFAOYSA-N
MW384.47 g/mol
LogP2.52
Rot. Bonds7

About 2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N'-(4-methoxypyrimidin-2-yl)acetohydrazide

2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N'-(4-methoxypyrimidin-2-yl)acetohydrazide (PubChem CID 55619783) has the molecular formula C18H20N6O2S and a molecular weight of 384.47 g/mol. Its IUPAC name is 2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N'-(4-methoxypyrimidin-2-yl)acetohydrazide.

Molecular Properties

Compound Name2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N'-(4-methoxypyrimidin-2-yl)acetohydrazide
PubChem CID55619783
Molecular FormulaC18H20N6O2S
Molecular Weight384.47 g/mol
Exact Mass384.14
IUPAC Name2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N'-(4-methoxypyrimidin-2-yl)acetohydrazide
SMILESCOc1ccnc(NNC(=O)CSc2nccn2-c2cc(C)ccc2C)n1
InChIInChI=1S/C18H20N6O2S/c1-12-4-5-13(2)14(10-12)24-9-8-20-18(24)27-11-15(25)22-23-17-19-7-6-16(21-17)26-3/h4-10H,11H2,1-3H3,(H,22,25)(H,19,21,23)
InChIKeyVWOLDIFOMZVFGY-UHFFFAOYSA-N
XLogP2.52
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.47
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-4-methoxybenzamide
CID 30366047
N'-[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]pyridine-3-carbohydrazide
CID 39754867
2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 60519002
2-[[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]amino]benzamide
CID 78797290
N-(3-acetamidophenyl)-2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
CID 7150913
N-[4-(dimethylamino)phenyl]-2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
CID 55368161
3-[[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]amino]-2,2-dimethylpropanamide
CID 60557721
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
CID 55510469
2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide
CID 78861846
benzyl (2R)-3-[[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]amino]-2-hydroxypropanoate
CID 97259855
2-[[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]amino]thiophene-3-carboxamide
CID 43027460
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
CID 55471800

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N'-(4-methoxypyrimidin-2-yl)acetohydrazide?
The IUPAC name of 2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N'-(4-methoxypyrimidin-2-yl)acetohydrazide (CID 55619783) is 2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N'-(4-methoxypyrimidin-2-yl)acetohydrazide.
What is the SMILES notation for 2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N'-(4-methoxypyrimidin-2-yl)acetohydrazide?
The canonical SMILES for 2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N'-(4-methoxypyrimidin-2-yl)acetohydrazide is COc1ccnc(NNC(=O)CSc2nccn2-c2cc(C)ccc2C)n1.
What is the InChIKey of 2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N'-(4-methoxypyrimidin-2-yl)acetohydrazide?
The InChIKey is VWOLDIFOMZVFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2S/c1-12-4-5-13(2)14(10-12)24-9-8-20-18(24)27-11-15(25)22-23-17-19-7-6-16(21-17)26-3/h4-10H,11H2,1-3H3,(H,22,25)(H,19,21,23).
What are the key properties of 2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N'-(4-methoxypyrimidin-2-yl)acetohydrazide?
2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N'-(4-methoxypyrimidin-2-yl)acetohydrazide has a molecular weight of 384.47 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N'-(4-methoxypyrimidin-2-yl)acetohydrazide is sourced from PubChem (CID 55619783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).