5-[(3-methylphenyl)diazenyl]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one

C16H13N3OS2 — CID 3714635

IUPAC5-[(3-methylphenyl)diazenyl]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCc1cccc(/N=N/C2SC(=S)N(c3ccccc3)C2=O)c1
InChIInChI=1S/C16H13N3OS2/c1-11-6-5-7-12(10-11)17-18-14-15(20)19(16(21)22-14)13-8-3-2-4-9-13/h2-10,14H,1H3/b18-17+
InChIKeyGWRQVGANGOOTLM-ISLYRVAYSA-N
MW327.43 g/mol
LogP4.47
Rot. Bonds3

About 5-[(3-methylphenyl)diazenyl]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one

5-[(3-methylphenyl)diazenyl]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 3714635) has the molecular formula C16H13N3OS2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 5-[(3-methylphenyl)diazenyl]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-[(3-methylphenyl)diazenyl]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID3714635
Molecular FormulaC16H13N3OS2
Molecular Weight327.43 g/mol
Exact Mass327.05
IUPAC Name5-[(3-methylphenyl)diazenyl]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCc1cccc(/N=N/C2SC(=S)N(c3ccccc3)C2=O)c1
InChIInChI=1S/C16H13N3OS2/c1-11-6-5-7-12(10-11)17-18-14-15(20)19(16(21)22-14)13-8-3-2-4-9-13/h2-10,14H,1H3/b18-17+
InChIKeyGWRQVGANGOOTLM-ISLYRVAYSA-N
XLogP4.47
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'rhod_sat_A(33)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(4S)-5-methyl-4-[(3-methylphenyl)diazenyl]-2-phenyl-4H-pyrazol-3-one
CID 98295031
N-[4-[(3-methylphenyl)diazenyl]-5-oxo-1-phenyl-4H-pyrazol-3-yl]acetamide
CID 3850753
5-(anilinomethyl)-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 23733002
isocyanic acid;(3-methylphenyl)-phenyldiazene
CID 88626155
(5S)-3-phenyl-2-sulfanylidene-5-[3-(trifluoromethyl)anilino]-1,3-thiazolidin-4-one
CID 41121239
(5R)-3-phenyl-2-sulfanylidene-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one
CID 2463018
5-phenyldiazenyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3826649
5-methyl-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione
CID 4620974
5-(2-methoxyanilino)-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3655928
3-[[3-(hydroxymethyl)phenyl]diazenyl]-4-methyl-2,6-dioxo-1-phenyl-3H-pyridine-5-carbonitrile
CID 118582107
5-benzyl-3-(3-methylphenyl)-2-sulfanylideneimidazolidin-4-one
CID 4130906
ethyl 2-[[2-[3-(3-methylphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]acetyl]amino]benzoate
CID 18892103

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methylphenyl)diazenyl]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of 5-[(3-methylphenyl)diazenyl]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one (CID 3714635) is 5-[(3-methylphenyl)diazenyl]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-[(3-methylphenyl)diazenyl]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for 5-[(3-methylphenyl)diazenyl]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one is Cc1cccc(/N=N/C2SC(=S)N(c3ccccc3)C2=O)c1.
What is the InChIKey of 5-[(3-methylphenyl)diazenyl]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is GWRQVGANGOOTLM-ISLYRVAYSA-N. The full InChI is InChI=1S/C16H13N3OS2/c1-11-6-5-7-12(10-11)17-18-14-15(20)19(16(21)22-14)13-8-3-2-4-9-13/h2-10,14H,1H3/b18-17+.
What are the key properties of 5-[(3-methylphenyl)diazenyl]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one?
5-[(3-methylphenyl)diazenyl]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 327.43 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methylphenyl)diazenyl]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 3714635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).