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

C16H13NS2 — CID 13401135

IUPAC2-(2-methylphenyl)-4-phenyl-1,2-thiazole-5-thione
SMILESCc1ccccc1-n1cc(-c2ccccc2)c(=S)s1
InChIInChI=1S/C16H13NS2/c1-12-7-5-6-10-15(12)17-11-14(16(18)19-17)13-8-3-2-4-9-13/h2-11H,1H3
InChIKeyLMMIVLKVEWKRNZ-UHFFFAOYSA-N
MW283.42 g/mol
LogP5.24
Rot. Bonds2

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

2-(2-methylphenyl)-4-phenyl-1,2-thiazole-5-thione (PubChem CID 13401135) has the molecular formula C16H13NS2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-(2-methylphenyl)-4-phenyl-1,2-thiazole-5-thione.

Molecular Properties

Compound Name2-(2-methylphenyl)-4-phenyl-1,2-thiazole-5-thione
PubChem CID13401135
Molecular FormulaC16H13NS2
Molecular Weight283.42 g/mol
Exact Mass283.05
IUPAC Name2-(2-methylphenyl)-4-phenyl-1,2-thiazole-5-thione
SMILESCc1ccccc1-n1cc(-c2ccccc2)c(=S)s1
InChIInChI=1S/C16H13NS2/c1-12-7-5-6-10-15(12)17-11-14(16(18)19-17)13-8-3-2-4-9-13/h2-11H,1H3
InChIKeyLMMIVLKVEWKRNZ-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

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CID 71045
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1-methylquinoline-4(1H)-thione
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5H-Dibenz(b,f)azepine, 10-(2-(dimethylamino)ethyl)-5-methyl-
CID 207672
1-Benzyl-2,2,4-trimethyl-1,2-dihydro-quinoline
CID 1381632
1-Ethyl-2-methylquinoline-4-thione
CID 3236871
1-Benzothioyl-1,2,3,4-tetrahydroquinoline
CID 848866
1-benzyl-3,3-dimethyl-1,3-dihydro-2H-indole-2-thione
CID 848846
[4-(2-Methylphenyl)piperazin-1-yl]-phenylmethanethione
CID 259071
4(1H)-Quinolinethione
CID 5252821
O-Ethyl-N,N-dimethylaniline
CID 220558

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-4-phenyl-1,2-thiazole-5-thione?
The IUPAC name of 2-(2-methylphenyl)-4-phenyl-1,2-thiazole-5-thione (CID 13401135) is 2-(2-methylphenyl)-4-phenyl-1,2-thiazole-5-thione.
What is the SMILES notation for 2-(2-methylphenyl)-4-phenyl-1,2-thiazole-5-thione?
The canonical SMILES for 2-(2-methylphenyl)-4-phenyl-1,2-thiazole-5-thione is Cc1ccccc1-n1cc(-c2ccccc2)c(=S)s1.
What is the InChIKey of 2-(2-methylphenyl)-4-phenyl-1,2-thiazole-5-thione?
The InChIKey is LMMIVLKVEWKRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NS2/c1-12-7-5-6-10-15(12)17-11-14(16(18)19-17)13-8-3-2-4-9-13/h2-11H,1H3.
What are the key properties of 2-(2-methylphenyl)-4-phenyl-1,2-thiazole-5-thione?
2-(2-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-(2-methylphenyl)-4-phenyl-1,2-thiazole-5-thione is sourced from PubChem (CID 13401135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).