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

C16H13NOS2 — CID 741656

IUPAC3-(4-methoxyphenyl)-4-phenyl-1,3-thiazole-2-thione
SMILESCOc1ccc(-n2c(-c3ccccc3)csc2=S)cc1
InChIInChI=1S/C16H13NOS2/c1-18-14-9-7-13(8-10-14)17-15(11-20-16(17)19)12-5-3-2-4-6-12/h2-11H,1H3
InChIKeyJKEGPQUELBNHFQ-UHFFFAOYSA-N
MW299.42 g/mol
LogP4.94
Rot. Bonds3

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

3-(4-methoxyphenyl)-4-phenyl-1,3-thiazole-2-thione (PubChem CID 741656) has the molecular formula C16H13NOS2 and a molecular weight of 299.42 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-4-phenyl-1,3-thiazole-2-thione.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-4-phenyl-1,3-thiazole-2-thione
PubChem CID741656
Molecular FormulaC16H13NOS2
Molecular Weight299.42 g/mol
Exact Mass299.04
IUPAC Name3-(4-methoxyphenyl)-4-phenyl-1,3-thiazole-2-thione
SMILESCOc1ccc(-n2c(-c3ccccc3)csc2=S)cc1
InChIInChI=1S/C16H13NOS2/c1-18-14-9-7-13(8-10-14)17-15(11-20-16(17)19)12-5-3-2-4-6-12/h2-11H,1H3
InChIKeyJKEGPQUELBNHFQ-UHFFFAOYSA-N
XLogP4.94
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,3-bis(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-imine
CID 3743621
5-(dimethylamino)-3-(4-methoxyphenyl)-4-phenyl-1,3-thiazole-2-thione
CID 15356871
3-(4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-2-imine
CID 2806537
3-(4-methoxyphenyl)-1,4-diphenylimidazol-2-one
CID 1226931
N-[3-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-ylidene]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 42598700
2-(4-methoxyphenyl)-1-(4-methylphenyl)-3,5-diphenylpyrrole
CID 12995302
N-[3-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,3-thiazol-2-ylidene]benzamide;hydrobromide
CID 44789503
(Z)-4-(4-methoxyphenyl)-3-(4-methylphenyl)-N-pyrimidin-2-yl-1,3-thiazol-2-imine
CID 53350002
3-(4-methoxyphenyl)-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole
CID 10935707
9-[4-(4-methoxyphenyl)phenyl]carbazole
CID 58905910
3-(4-methoxyphenyl)-4-(4-methylphenyl)-5-phenyl-1,2,4-triazole
CID 102231682
3,4-bis(4-methoxyphenyl)-1H-imidazole-2-thione
CID 18524150

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-4-phenyl-1,3-thiazole-2-thione?
The IUPAC name of 3-(4-methoxyphenyl)-4-phenyl-1,3-thiazole-2-thione (CID 741656) is 3-(4-methoxyphenyl)-4-phenyl-1,3-thiazole-2-thione.
What is the SMILES notation for 3-(4-methoxyphenyl)-4-phenyl-1,3-thiazole-2-thione?
The canonical SMILES for 3-(4-methoxyphenyl)-4-phenyl-1,3-thiazole-2-thione is COc1ccc(-n2c(-c3ccccc3)csc2=S)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-4-phenyl-1,3-thiazole-2-thione?
The InChIKey is JKEGPQUELBNHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NOS2/c1-18-14-9-7-13(8-10-14)17-15(11-20-16(17)19)12-5-3-2-4-6-12/h2-11H,1H3.
What are the key properties of 3-(4-methoxyphenyl)-4-phenyl-1,3-thiazole-2-thione?
3-(4-methoxyphenyl)-4-phenyl-1,3-thiazole-2-thione has a molecular weight of 299.42 g/mol, XLogP of 4.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-4-phenyl-1,3-thiazole-2-thione is sourced from PubChem (CID 741656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).