4,5-bis(4-fluorophenyl)-3H-1,3-thiazole-2-thione

C15H9F2NS2 — CID 21408423

IUPAC4,5-bis(4-fluorophenyl)-3H-1,3-thiazole-2-thione
SMILESFc1ccc(-c2[nH]c(=S)sc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C15H9F2NS2/c16-11-5-1-9(2-6-11)13-14(20-15(19)18-13)10-3-7-12(17)8-4-10/h1-8H,(H,18,19)
InChIKeyAKLIPSQMWCIRRB-UHFFFAOYSA-N
MW305.37 g/mol
LogP5.42
Rot. Bonds2

About 4,5-bis(4-fluorophenyl)-3H-1,3-thiazole-2-thione

4,5-bis(4-fluorophenyl)-3H-1,3-thiazole-2-thione (PubChem CID 21408423) has the molecular formula C15H9F2NS2 and a molecular weight of 305.37 g/mol. Its IUPAC name is 4,5-bis(4-fluorophenyl)-3H-1,3-thiazole-2-thione.

Molecular Properties

Compound Name4,5-bis(4-fluorophenyl)-3H-1,3-thiazole-2-thione
PubChem CID21408423
Molecular FormulaC15H9F2NS2
Molecular Weight305.37 g/mol
Exact Mass305.01
IUPAC Name4,5-bis(4-fluorophenyl)-3H-1,3-thiazole-2-thione
SMILESFc1ccc(-c2[nH]c(=S)sc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C15H9F2NS2/c16-11-5-1-9(2-6-11)13-14(20-15(19)18-13)10-3-7-12(17)8-4-10/h1-8H,(H,18,19)
InChIKeyAKLIPSQMWCIRRB-UHFFFAOYSA-N
XLogP5.42
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.37
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 4,5-bis(4-fluorophenyl)-3H-1,3-thiazole-2-thione?
The IUPAC name of 4,5-bis(4-fluorophenyl)-3H-1,3-thiazole-2-thione (CID 21408423) is 4,5-bis(4-fluorophenyl)-3H-1,3-thiazole-2-thione.
What is the SMILES notation for 4,5-bis(4-fluorophenyl)-3H-1,3-thiazole-2-thione?
The canonical SMILES for 4,5-bis(4-fluorophenyl)-3H-1,3-thiazole-2-thione is Fc1ccc(-c2[nH]c(=S)sc2-c2ccc(F)cc2)cc1.
What is the InChIKey of 4,5-bis(4-fluorophenyl)-3H-1,3-thiazole-2-thione?
The InChIKey is AKLIPSQMWCIRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F2NS2/c16-11-5-1-9(2-6-11)13-14(20-15(19)18-13)10-3-7-12(17)8-4-10/h1-8H,(H,18,19).
What are the key properties of 4,5-bis(4-fluorophenyl)-3H-1,3-thiazole-2-thione?
4,5-bis(4-fluorophenyl)-3H-1,3-thiazole-2-thione has a molecular weight of 305.37 g/mol, XLogP of 5.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(4-fluorophenyl)-3H-1,3-thiazole-2-thione is sourced from PubChem (CID 21408423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).