N'-[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]pyridine-3-carbohydrazide

C19H19N5O2S — CID 39754867

IUPACN'-[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]pyridine-3-carbohydrazide
SMILESCc1ccc(C)c(-n2ccnc2SCC(=O)NNC(=O)c2cccnc2)c1
InChIInChI=1S/C19H19N5O2S/c1-13-5-6-14(2)16(10-13)24-9-8-21-19(24)27-12-17(25)22-23-18(26)15-4-3-7-20-11-15/h3-11H,12H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyPBQVQXATDKSLAG-UHFFFAOYSA-N
MW381.46 g/mol
LogP2.44
Rot. Bonds5

About N'-[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]pyridine-3-carbohydrazide

N'-[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]pyridine-3-carbohydrazide (PubChem CID 39754867) has the molecular formula C19H19N5O2S and a molecular weight of 381.46 g/mol. Its IUPAC name is N'-[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]pyridine-3-carbohydrazide
PubChem CID39754867
Molecular FormulaC19H19N5O2S
Molecular Weight381.46 g/mol
Exact Mass381.13
IUPAC NameN'-[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]pyridine-3-carbohydrazide
SMILESCc1ccc(C)c(-n2ccnc2SCC(=O)NNC(=O)c2cccnc2)c1
InChIInChI=1S/C19H19N5O2S/c1-13-5-6-14(2)16(10-13)24-9-8-21-19(24)27-12-17(25)22-23-18(26)15-4-3-7-20-11-15/h3-11H,12H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyPBQVQXATDKSLAG-UHFFFAOYSA-N
XLogP2.44
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(2,5-dimethylphenyl)sulfanylacetyl]pyridine-3-carbohydrazide
CID 26641197
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-[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-4-methoxybenzamide
CID 30366047
N'-[2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-2-fluorobenzohydrazide
CID 24577697
2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 60519002
2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N'-(4-methoxypyrimidin-2-yl)acetohydrazide
CID 55619783
3-[[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]amino]-2,2-dimethylpropanamide
CID 60557721
N-[4-(dimethylamino)phenyl]-2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
CID 55368161
N'-[2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-4-fluorobenzohydrazide
CID 46813112
3-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-phenylpropanamide
CID 24651767
2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(3-ethylsulfonylphenyl)acetamide
CID 86972032

Frequently Asked Questions

What is the IUPAC name of N'-[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]pyridine-3-carbohydrazide?
The IUPAC name of N'-[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]pyridine-3-carbohydrazide (CID 39754867) is N'-[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]pyridine-3-carbohydrazide.
What is the SMILES notation for N'-[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]pyridine-3-carbohydrazide?
The canonical SMILES for N'-[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]pyridine-3-carbohydrazide is Cc1ccc(C)c(-n2ccnc2SCC(=O)NNC(=O)c2cccnc2)c1.
What is the InChIKey of N'-[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]pyridine-3-carbohydrazide?
The InChIKey is PBQVQXATDKSLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2S/c1-13-5-6-14(2)16(10-13)24-9-8-21-19(24)27-12-17(25)22-23-18(26)15-4-3-7-20-11-15/h3-11H,12H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of N'-[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]pyridine-3-carbohydrazide?
N'-[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]pyridine-3-carbohydrazide has a molecular weight of 381.46 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]pyridine-3-carbohydrazide is sourced from PubChem (CID 39754867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).