naphthalen-2-yl-[(5E)-4-phenyl-5-(phenylhydrazinylidene)-1,3,4-thiadiazol-2-yl]methanone

C25H18N4OS — CID 100932782

IUPACnaphthalen-2-yl-[(5E)-4-phenyl-5-(phenylhydrazinylidene)-1,3,4-thiadiazol-2-yl]methanone
SMILESO=C(c1ccc2ccccc2c1)c1nn(-c2ccccc2)/c(=N\Nc2ccccc2)s1
InChIInChI=1S/C25H18N4OS/c30-23(20-16-15-18-9-7-8-10-19(18)17-20)24-28-29(22-13-5-2-6-14-22)25(31-24)27-26-21-11-3-1-4-12-21/h1-17,26H/b27-25+
InChIKeyUEYREDYZNBJSSN-IMVLJIQESA-N
MW422.51 g/mol
LogP5.25
Rot. Bonds5

About naphthalen-2-yl-[(5E)-4-phenyl-5-(phenylhydrazinylidene)-1,3,4-thiadiazol-2-yl]methanone

naphthalen-2-yl-[(5E)-4-phenyl-5-(phenylhydrazinylidene)-1,3,4-thiadiazol-2-yl]methanone (PubChem CID 100932782) has the molecular formula C25H18N4OS and a molecular weight of 422.51 g/mol. Its IUPAC name is naphthalen-2-yl-[(5E)-4-phenyl-5-(phenylhydrazinylidene)-1,3,4-thiadiazol-2-yl]methanone.

Molecular Properties

Compound Namenaphthalen-2-yl-[(5E)-4-phenyl-5-(phenylhydrazinylidene)-1,3,4-thiadiazol-2-yl]methanone
PubChem CID100932782
Molecular FormulaC25H18N4OS
Molecular Weight422.51 g/mol
Exact Mass422.12
IUPAC Namenaphthalen-2-yl-[(5E)-4-phenyl-5-(phenylhydrazinylidene)-1,3,4-thiadiazol-2-yl]methanone
SMILESO=C(c1ccc2ccccc2c1)c1nn(-c2ccccc2)/c(=N\Nc2ccccc2)s1
InChIInChI=1S/C25H18N4OS/c30-23(20-16-15-18-9-7-8-10-19(18)17-20)24-28-29(22-13-5-2-6-14-22)25(31-24)27-26-21-11-3-1-4-12-21/h1-17,26H/b27-25+
InChIKeyUEYREDYZNBJSSN-IMVLJIQESA-N
XLogP5.25
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.51
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

naphthalen-2-yl-[(5E)-4-phenyl-5-[(E)-1-phenylethylidenehydrazinylidene]-1,3,4-thiadiazol-2-yl]methanone
CID 177475365
[(5E)-5-[(E)-1-naphthalen-1-ylethylidenehydrazinylidene]-4-phenyl-1,3,4-thiadiazol-2-yl]-phenylmethanone
CID 177444513
dinaphthalen-2-ylmethanone
CID 10945915
naphthalen-2-yl(phenyl)(113C)methanone
CID 101359138
[5-benzoyl-3-(3-bromophenyl)-1,3,4-thiadiazol-2-ylidene]cyanamide
CID 26598836
N'-[4-[(1,5-diphenyl-1,2,4-triazol-3-yl)amino]benzoyl]naphthalene-2-carbohydrazide
CID 18184865
N-phenylnaphthalene-2-carbohydrazonoyl chloride
CID 167437589
(2,5-dimethylthiophen-3-yl)-naphthalen-2-ylmethanone
CID 43339492
naphthalen-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782470
naphthalene-2-carboxylic acid
CID 175967775
CID 87197273
CID 87197273
naphthalene-2-carboxylic acid;dihydrochloride
CID 70357946

Frequently Asked Questions

What is the IUPAC name of naphthalen-2-yl-[(5E)-4-phenyl-5-(phenylhydrazinylidene)-1,3,4-thiadiazol-2-yl]methanone?
The IUPAC name of naphthalen-2-yl-[(5E)-4-phenyl-5-(phenylhydrazinylidene)-1,3,4-thiadiazol-2-yl]methanone (CID 100932782) is naphthalen-2-yl-[(5E)-4-phenyl-5-(phenylhydrazinylidene)-1,3,4-thiadiazol-2-yl]methanone.
What is the SMILES notation for naphthalen-2-yl-[(5E)-4-phenyl-5-(phenylhydrazinylidene)-1,3,4-thiadiazol-2-yl]methanone?
The canonical SMILES for naphthalen-2-yl-[(5E)-4-phenyl-5-(phenylhydrazinylidene)-1,3,4-thiadiazol-2-yl]methanone is O=C(c1ccc2ccccc2c1)c1nn(-c2ccccc2)/c(=N\Nc2ccccc2)s1.
What is the InChIKey of naphthalen-2-yl-[(5E)-4-phenyl-5-(phenylhydrazinylidene)-1,3,4-thiadiazol-2-yl]methanone?
The InChIKey is UEYREDYZNBJSSN-IMVLJIQESA-N. The full InChI is InChI=1S/C25H18N4OS/c30-23(20-16-15-18-9-7-8-10-19(18)17-20)24-28-29(22-13-5-2-6-14-22)25(31-24)27-26-21-11-3-1-4-12-21/h1-17,26H/b27-25+.
What are the key properties of naphthalen-2-yl-[(5E)-4-phenyl-5-(phenylhydrazinylidene)-1,3,4-thiadiazol-2-yl]methanone?
naphthalen-2-yl-[(5E)-4-phenyl-5-(phenylhydrazinylidene)-1,3,4-thiadiazol-2-yl]methanone has a molecular weight of 422.51 g/mol, XLogP of 5.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-2-yl-[(5E)-4-phenyl-5-(phenylhydrazinylidene)-1,3,4-thiadiazol-2-yl]methanone is sourced from PubChem (CID 100932782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).