5-(dimethylamino)-3-(4-methoxyphenyl)-4-phenyl-1,3-thiazole-2-thione

C18H18N2OS2 — CID 15356871

IUPAC5-(dimethylamino)-3-(4-methoxyphenyl)-4-phenyl-1,3-thiazole-2-thione
SMILESCOc1ccc(-n2c(-c3ccccc3)c(N(C)C)sc2=S)cc1
InChIInChI=1S/C18H18N2OS2/c1-19(2)17-16(13-7-5-4-6-8-13)20(18(22)23-17)14-9-11-15(21-3)12-10-14/h4-12H,1-3H3
InChIKeyFLGSKRUTMLFCCL-UHFFFAOYSA-N
MW342.49 g/mol
LogP5.01
Rot. Bonds4

About 5-(dimethylamino)-3-(4-methoxyphenyl)-4-phenyl-1,3-thiazole-2-thione

5-(dimethylamino)-3-(4-methoxyphenyl)-4-phenyl-1,3-thiazole-2-thione (PubChem CID 15356871) has the molecular formula C18H18N2OS2 and a molecular weight of 342.49 g/mol. Its IUPAC name is 5-(dimethylamino)-3-(4-methoxyphenyl)-4-phenyl-1,3-thiazole-2-thione.

Molecular Properties

Compound Name5-(dimethylamino)-3-(4-methoxyphenyl)-4-phenyl-1,3-thiazole-2-thione
PubChem CID15356871
Molecular FormulaC18H18N2OS2
Molecular Weight342.49 g/mol
Exact Mass342.09
IUPAC Name5-(dimethylamino)-3-(4-methoxyphenyl)-4-phenyl-1,3-thiazole-2-thione
SMILESCOc1ccc(-n2c(-c3ccccc3)c(N(C)C)sc2=S)cc1
InChIInChI=1S/C18H18N2OS2/c1-19(2)17-16(13-7-5-4-6-8-13)20(18(22)23-17)14-9-11-15(21-3)12-10-14/h4-12H,1-3H3
InChIKeyFLGSKRUTMLFCCL-UHFFFAOYSA-N
XLogP5.01
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.49
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(4-methoxyphenyl)-4-phenyl-1,3-thiazole-2-thione
CID 741656
2-(4-methoxyphenyl)-1-(4-methylphenyl)-3,5-diphenylpyrrole
CID 12995302
4-amino-5-(1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)-1,3-thiazole-2-thione
CID 4640407
4-(4-methoxyphenyl)-2-methyl-5,6-diphenylimidazo[1,2-b][1,2,4]triazole
CID 11794173
1-methoxy-4-phenylbenzene;methyloxidanium
CID 144616924
9-[4-(4-methoxyphenyl)phenyl]carbazole
CID 58905910
3-(4-methoxyphenyl)-4-(4-methylphenyl)-5-phenyl-1,2,4-triazole
CID 102231682
1-methoxy-4-phenylbenzene;4-(4-methoxyphenyl)phenol
CID 69347648
6,7-dimethoxy-2-(4-methoxyphenyl)-1-phenylisoquinolin-3-one
CID 134913131
1-(4-methoxyphenyl)-2-methyl-3-phenylindole
CID 102459165
1-[4-(4-methoxyphenyl)phenyl]-2,4,6-triphenyl-3,5-bis(4-phenylphenyl)benzene
CID 138981847
1-methoxy-4-phenylbenzene cyanide
CID 159561637

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-3-(4-methoxyphenyl)-4-phenyl-1,3-thiazole-2-thione?
The IUPAC name of 5-(dimethylamino)-3-(4-methoxyphenyl)-4-phenyl-1,3-thiazole-2-thione (CID 15356871) is 5-(dimethylamino)-3-(4-methoxyphenyl)-4-phenyl-1,3-thiazole-2-thione.
What is the SMILES notation for 5-(dimethylamino)-3-(4-methoxyphenyl)-4-phenyl-1,3-thiazole-2-thione?
The canonical SMILES for 5-(dimethylamino)-3-(4-methoxyphenyl)-4-phenyl-1,3-thiazole-2-thione is COc1ccc(-n2c(-c3ccccc3)c(N(C)C)sc2=S)cc1.
What is the InChIKey of 5-(dimethylamino)-3-(4-methoxyphenyl)-4-phenyl-1,3-thiazole-2-thione?
The InChIKey is FLGSKRUTMLFCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2OS2/c1-19(2)17-16(13-7-5-4-6-8-13)20(18(22)23-17)14-9-11-15(21-3)12-10-14/h4-12H,1-3H3.
What are the key properties of 5-(dimethylamino)-3-(4-methoxyphenyl)-4-phenyl-1,3-thiazole-2-thione?
5-(dimethylamino)-3-(4-methoxyphenyl)-4-phenyl-1,3-thiazole-2-thione has a molecular weight of 342.49 g/mol, XLogP of 5.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-3-(4-methoxyphenyl)-4-phenyl-1,3-thiazole-2-thione is sourced from PubChem (CID 15356871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).