2-(4-methylphenyl)-4-phenyl-1,2-thiazole-5-thione

C16H13NS2 — CID 12753444

IUPAC2-(4-methylphenyl)-4-phenyl-1,2-thiazole-5-thione
SMILESCc1ccc(-n2cc(-c3ccccc3)c(=S)s2)cc1
InChIInChI=1S/C16H13NS2/c1-12-7-9-14(10-8-12)17-11-15(16(18)19-17)13-5-3-2-4-6-13/h2-11H,1H3
InChIKeyUJGPZHLJCHGIIC-UHFFFAOYSA-N
MW283.42 g/mol
LogP5.24
Rot. Bonds2

About 2-(4-methylphenyl)-4-phenyl-1,2-thiazole-5-thione

2-(4-methylphenyl)-4-phenyl-1,2-thiazole-5-thione (PubChem CID 12753444) has the molecular formula C16H13NS2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-(4-methylphenyl)-4-phenyl-1,2-thiazole-5-thione.

Molecular Properties

Compound Name2-(4-methylphenyl)-4-phenyl-1,2-thiazole-5-thione
PubChem CID12753444
Molecular FormulaC16H13NS2
Molecular Weight283.42 g/mol
Exact Mass283.05
IUPAC Name2-(4-methylphenyl)-4-phenyl-1,2-thiazole-5-thione
SMILESCc1ccc(-n2cc(-c3ccccc3)c(=S)s2)cc1
InChIInChI=1S/C16H13NS2/c1-12-7-9-14(10-8-12)17-11-15(16(18)19-17)13-5-3-2-4-6-13/h2-11H,1H3
InChIKeyUJGPZHLJCHGIIC-UHFFFAOYSA-N
XLogP5.24
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.42
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

Bis(p-(dimethylamino)phenyl)methane
CID 7567
4-Dimethylaminostilbene
CID 640024
N,N,N',N'-Tetramethylbenzidine
CID 9702
4,4'-Bis(dimethylamino)thiobenzophenone
CID 71045
4-(Dimethylamino)benzenecarbothioamide
CID 816768
4,4'-methylenebis[N,N-diethylaniline]
CID 67288
4-(2,4-Cyclopentadien-1-ylidenemethyl)-N,N-dimethylaniline
CID 256312
N,N-Dimethyl-4-(2-phenylethenyl)benzenamine
CID 13284
Michler's ethylene
CID 81995
N-Methyl-N-phenylbenzylamine
CID 69191
Fidas-3
CID 51039205
4-(Dimethylamino)-N,N-dimethylbenzenecarbothioamide
CID 2984048

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-4-phenyl-1,2-thiazole-5-thione?
The IUPAC name of 2-(4-methylphenyl)-4-phenyl-1,2-thiazole-5-thione (CID 12753444) is 2-(4-methylphenyl)-4-phenyl-1,2-thiazole-5-thione.
What is the SMILES notation for 2-(4-methylphenyl)-4-phenyl-1,2-thiazole-5-thione?
The canonical SMILES for 2-(4-methylphenyl)-4-phenyl-1,2-thiazole-5-thione is Cc1ccc(-n2cc(-c3ccccc3)c(=S)s2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-4-phenyl-1,2-thiazole-5-thione?
The InChIKey is UJGPZHLJCHGIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NS2/c1-12-7-9-14(10-8-12)17-11-15(16(18)19-17)13-5-3-2-4-6-13/h2-11H,1H3.
What are the key properties of 2-(4-methylphenyl)-4-phenyl-1,2-thiazole-5-thione?
2-(4-methylphenyl)-4-phenyl-1,2-thiazole-5-thione has a molecular weight of 283.42 g/mol, XLogP of 5.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-4-phenyl-1,2-thiazole-5-thione is sourced from PubChem (CID 12753444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).