2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetohydrazide

C11H12N4OS — CID 2324952

IUPAC2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetohydrazide
SMILESNNC(=O)CSc1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C11H12N4OS/c12-15-10(16)7-17-11-13-6-9(14-11)8-4-2-1-3-5-8/h1-6H,7,12H2,(H,13,14)(H,15,16)
InChIKeyOLDXJMDUZJPBGO-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.16
Rot. Bonds4

About 2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetohydrazide

2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetohydrazide (PubChem CID 2324952) has the molecular formula C11H12N4OS and a molecular weight of 248.31 g/mol. Its IUPAC name is 2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetohydrazide.

Molecular Properties

Compound Name2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetohydrazide
PubChem CID2324952
Molecular FormulaC11H12N4OS
Molecular Weight248.31 g/mol
Exact Mass248.07
IUPAC Name2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetohydrazide
SMILESNNC(=O)CSc1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C11H12N4OS/c12-15-10(16)7-17-11-13-6-9(14-11)8-4-2-1-3-5-8/h1-6H,7,12H2,(H,13,14)(H,15,16)
InChIKeyOLDXJMDUZJPBGO-UHFFFAOYSA-N
XLogP1.16
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-Fluoro-phenyl)-2-(5-phenyl-1H-imidazol-2-ylsulfanyl)-acetamide
CID 1116757
2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-pentan-2-ylacetamide
CID 3430647
2-(cyclohexyldisulfanyl)-5-phenyl-1H-imidazole
CID 71562930
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-pyridin-4-ylmethylideneamino]acetamide
CID 6864527
2-(1H-benzimidazol-2-ylsulfanyl)-N'-[(1E)-1-(pyridin-4-yl)ethylidene]acetohydrazide
CID 5393064
2-{[4-(4-nitrophenyl)-1H-imidazol-2-yl]thio}acetamide
CID 977627
N-(4-methyl-1,3-thiazol-2-yl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 1080938
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 2336906
2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide
CID 2998048
2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(1,1-dioxothiolan-3-yl)acetamide
CID 2998891
2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 4779650
4-Ph-2[[2-[4-imidazolyl]Et]S]imidazole
CID 10445847

Frequently Asked Questions

What is the IUPAC name of 2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetohydrazide?
The IUPAC name of 2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetohydrazide (CID 2324952) is 2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetohydrazide.
What is the SMILES notation for 2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetohydrazide?
The canonical SMILES for 2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetohydrazide is NNC(=O)CSc1ncc(-c2ccccc2)[nH]1.
What is the InChIKey of 2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetohydrazide?
The InChIKey is OLDXJMDUZJPBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4OS/c12-15-10(16)7-17-11-13-6-9(14-11)8-4-2-1-3-5-8/h1-6H,7,12H2,(H,13,14)(H,15,16).
What are the key properties of 2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetohydrazide?
2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetohydrazide has a molecular weight of 248.31 g/mol, XLogP of 1.16, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetohydrazide is sourced from PubChem (CID 2324952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).