8-fluoro-2-methyl-5,10-dihydrothieno[3,2-c][1,5]benzodiazepine-4-thione

C12H9FN2S2 — CID 58860652

IUPAC8-fluoro-2-methyl-5,10-dihydrothieno[3,2-c][1,5]benzodiazepine-4-thione
SMILESCc1cc2c(s1)Nc1cc(F)ccc1NC2=S
InChIInChI=1S/C12H9FN2S2/c1-6-4-8-11(16)14-9-3-2-7(13)5-10(9)15-12(8)17-6/h2-5,15H,1H3,(H,14,16)
InChIKeyTZCVZXJVGDLGBI-UHFFFAOYSA-N
MW264.35 g/mol
LogP4.04
Rot. Bonds

About 8-fluoro-2-methyl-5,10-dihydrothieno[3,2-c][1,5]benzodiazepine-4-thione

8-fluoro-2-methyl-5,10-dihydrothieno[3,2-c][1,5]benzodiazepine-4-thione (PubChem CID 58860652) has the molecular formula C12H9FN2S2 and a molecular weight of 264.35 g/mol. Its IUPAC name is 8-fluoro-2-methyl-5,10-dihydrothieno[3,2-c][1,5]benzodiazepine-4-thione.

Molecular Properties

Compound Name8-fluoro-2-methyl-5,10-dihydrothieno[3,2-c][1,5]benzodiazepine-4-thione
PubChem CID58860652
Molecular FormulaC12H9FN2S2
Molecular Weight264.35 g/mol
Exact Mass264.02
IUPAC Name8-fluoro-2-methyl-5,10-dihydrothieno[3,2-c][1,5]benzodiazepine-4-thione
SMILESCc1cc2c(s1)Nc1cc(F)ccc1NC2=S
InChIInChI=1S/C12H9FN2S2/c1-6-4-8-11(16)14-9-3-2-7(13)5-10(9)15-12(8)17-6/h2-5,15H,1H3,(H,14,16)
InChIKeyTZCVZXJVGDLGBI-UHFFFAOYSA-N
XLogP4.04
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 8-fluoro-2-methyl-5,10-dihydrothieno[3,2-c][1,5]benzodiazepine-4-thione?
The IUPAC name of 8-fluoro-2-methyl-5,10-dihydrothieno[3,2-c][1,5]benzodiazepine-4-thione (CID 58860652) is 8-fluoro-2-methyl-5,10-dihydrothieno[3,2-c][1,5]benzodiazepine-4-thione.
What is the SMILES notation for 8-fluoro-2-methyl-5,10-dihydrothieno[3,2-c][1,5]benzodiazepine-4-thione?
The canonical SMILES for 8-fluoro-2-methyl-5,10-dihydrothieno[3,2-c][1,5]benzodiazepine-4-thione is Cc1cc2c(s1)Nc1cc(F)ccc1NC2=S.
What is the InChIKey of 8-fluoro-2-methyl-5,10-dihydrothieno[3,2-c][1,5]benzodiazepine-4-thione?
The InChIKey is TZCVZXJVGDLGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2S2/c1-6-4-8-11(16)14-9-3-2-7(13)5-10(9)15-12(8)17-6/h2-5,15H,1H3,(H,14,16).
What are the key properties of 8-fluoro-2-methyl-5,10-dihydrothieno[3,2-c][1,5]benzodiazepine-4-thione?
8-fluoro-2-methyl-5,10-dihydrothieno[3,2-c][1,5]benzodiazepine-4-thione has a molecular weight of 264.35 g/mol, XLogP of 4.04, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2-methyl-5,10-dihydrothieno[3,2-c][1,5]benzodiazepine-4-thione is sourced from PubChem (CID 58860652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).