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

C17H16N2S2 — CID 11833944

IUPAC5-(dimethylamino)-3,4-diphenyl-1,3-thiazole-2-thione
SMILESCN(C)c1sc(=S)n(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C17H16N2S2/c1-18(2)16-15(13-9-5-3-6-10-13)19(17(20)21-16)14-11-7-4-8-12-14/h3-12H,1-2H3
InChIKeyTXUIQUHLDSMOIU-UHFFFAOYSA-N
MW312.46 g/mol
LogP5.00
Rot. Bonds3

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

5-(dimethylamino)-3,4-diphenyl-1,3-thiazole-2-thione (PubChem CID 11833944) has the molecular formula C17H16N2S2 and a molecular weight of 312.46 g/mol. Its IUPAC name is 5-(dimethylamino)-3,4-diphenyl-1,3-thiazole-2-thione.

Molecular Properties

Compound Name5-(dimethylamino)-3,4-diphenyl-1,3-thiazole-2-thione
PubChem CID11833944
Molecular FormulaC17H16N2S2
Molecular Weight312.46 g/mol
Exact Mass312.08
IUPAC Name5-(dimethylamino)-3,4-diphenyl-1,3-thiazole-2-thione
SMILESCN(C)c1sc(=S)n(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C17H16N2S2/c1-18(2)16-15(13-9-5-3-6-10-13)19(17(20)21-16)14-11-7-4-8-12-14/h3-12H,1-2H3
InChIKeyTXUIQUHLDSMOIU-UHFFFAOYSA-N
XLogP5.00
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.46
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-3,4-diphenyl-1,3-thiazole-2-thione?
The IUPAC name of 5-(dimethylamino)-3,4-diphenyl-1,3-thiazole-2-thione (CID 11833944) is 5-(dimethylamino)-3,4-diphenyl-1,3-thiazole-2-thione.
What is the SMILES notation for 5-(dimethylamino)-3,4-diphenyl-1,3-thiazole-2-thione?
The canonical SMILES for 5-(dimethylamino)-3,4-diphenyl-1,3-thiazole-2-thione is CN(C)c1sc(=S)n(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 5-(dimethylamino)-3,4-diphenyl-1,3-thiazole-2-thione?
The InChIKey is TXUIQUHLDSMOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2S2/c1-18(2)16-15(13-9-5-3-6-10-13)19(17(20)21-16)14-11-7-4-8-12-14/h3-12H,1-2H3.
What are the key properties of 5-(dimethylamino)-3,4-diphenyl-1,3-thiazole-2-thione?
5-(dimethylamino)-3,4-diphenyl-1,3-thiazole-2-thione has a molecular weight of 312.46 g/mol, XLogP of 5.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-3,4-diphenyl-1,3-thiazole-2-thione is sourced from PubChem (CID 11833944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).