N'-[2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]pyridine-2-carbohydrazide

C19H19N5O2S — CID 18207204

IUPACN'-[2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]pyridine-2-carbohydrazide
SMILESCc1ccc(-n2ccnc2SCC(=O)NNC(=O)c2ccccn2)cc1C
InChIInChI=1S/C19H19N5O2S/c1-13-6-7-15(11-14(13)2)24-10-9-21-19(24)27-12-17(25)22-23-18(26)16-5-3-4-8-20-16/h3-11H,12H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyGZJPVRYPRUDABZ-UHFFFAOYSA-N
MW381.46 g/mol
LogP2.44
Rot. Bonds5

About N'-[2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]pyridine-2-carbohydrazide

N'-[2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]pyridine-2-carbohydrazide (PubChem CID 18207204) has the molecular formula C19H19N5O2S and a molecular weight of 381.46 g/mol. Its IUPAC name is N'-[2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]pyridine-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]pyridine-2-carbohydrazide
PubChem CID18207204
Molecular FormulaC19H19N5O2S
Molecular Weight381.46 g/mol
Exact Mass381.13
IUPAC NameN'-[2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]pyridine-2-carbohydrazide
SMILESCc1ccc(-n2ccnc2SCC(=O)NNC(=O)c2ccccn2)cc1C
InChIInChI=1S/C19H19N5O2S/c1-13-6-7-15(11-14(13)2)24-10-9-21-19(24)27-12-17(25)22-23-18(26)16-5-3-4-8-20-16/h3-11H,12H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyGZJPVRYPRUDABZ-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

2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-propylacetamide
CID 40657989
2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(2-ethylphenyl)acetamide
CID 30802040
N-(benzylcarbamoyl)-2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
CID 30801985
N-[4-(3,4-dimethylphenyl)-3-oxopyrazin-2-yl]pyridine-2-carboxamide
CID 53118384
2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(pyridin-4-ylmethyl)acetamide
CID 18161956
2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(1,2-oxazol-3-yl)acetamide
CID 17470138
N'-[2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylacetyl]benzohydrazide
CID 51431650
2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-methyl-N-phenylacetamide
CID 30802029
4-chloro-N'-[2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylacetyl]benzohydrazide
CID 46811521
2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(3-methylsulfonylphenyl)acetamide
CID 26829244
tert-butyl 2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetate
CID 134058214
N-(1-cyanocyclohexyl)-2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
CID 30802016

Frequently Asked Questions

What is the IUPAC name of N'-[2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]pyridine-2-carbohydrazide?
The IUPAC name of N'-[2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]pyridine-2-carbohydrazide (CID 18207204) is N'-[2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]pyridine-2-carbohydrazide.
What is the SMILES notation for N'-[2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]pyridine-2-carbohydrazide?
The canonical SMILES for N'-[2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]pyridine-2-carbohydrazide is Cc1ccc(-n2ccnc2SCC(=O)NNC(=O)c2ccccn2)cc1C.
What is the InChIKey of N'-[2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]pyridine-2-carbohydrazide?
The InChIKey is GZJPVRYPRUDABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2S/c1-13-6-7-15(11-14(13)2)24-10-9-21-19(24)27-12-17(25)22-23-18(26)16-5-3-4-8-20-16/h3-11H,12H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of N'-[2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]pyridine-2-carbohydrazide?
N'-[2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]pyridine-2-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-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]pyridine-2-carbohydrazide is sourced from PubChem (CID 18207204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).