2-ethyl-7-fluoro-10H-thieno[2,3-b][1,5]benzodiazepine

C13H11FN2S — CID 137190540

IUPAC2-ethyl-7-fluoro-10H-thieno[2,3-b][1,5]benzodiazepine
SMILESCCc1cc2c(s1)Nc1ccc(F)cc1N=C2
InChIInChI=1S/C13H11FN2S/c1-2-10-5-8-7-15-12-6-9(14)3-4-11(12)16-13(8)17-10/h3-7,16H,2H2,1H3
InChIKeyBYIWYMBILXQCGQ-UHFFFAOYSA-N
MW246.31 g/mol
LogP4.26
Rot. Bonds1

About 2-ethyl-7-fluoro-10H-thieno[2,3-b][1,5]benzodiazepine

2-ethyl-7-fluoro-10H-thieno[2,3-b][1,5]benzodiazepine (PubChem CID 137190540) has the molecular formula C13H11FN2S and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-ethyl-7-fluoro-10H-thieno[2,3-b][1,5]benzodiazepine.

Molecular Properties

Compound Name2-ethyl-7-fluoro-10H-thieno[2,3-b][1,5]benzodiazepine
PubChem CID137190540
Molecular FormulaC13H11FN2S
Molecular Weight246.31 g/mol
Exact Mass246.06
IUPAC Name2-ethyl-7-fluoro-10H-thieno[2,3-b][1,5]benzodiazepine
SMILESCCc1cc2c(s1)Nc1ccc(F)cc1N=C2
InChIInChI=1S/C13H11FN2S/c1-2-10-5-8-7-15-12-6-9(14)3-4-11(12)16-13(8)17-10/h3-7,16H,2H2,1H3
InChIKeyBYIWYMBILXQCGQ-UHFFFAOYSA-N
XLogP4.26
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7-fluoro-10H-thieno[2,3-b][1,5]benzodiazepine?
The IUPAC name of 2-ethyl-7-fluoro-10H-thieno[2,3-b][1,5]benzodiazepine (CID 137190540) is 2-ethyl-7-fluoro-10H-thieno[2,3-b][1,5]benzodiazepine.
What is the SMILES notation for 2-ethyl-7-fluoro-10H-thieno[2,3-b][1,5]benzodiazepine?
The canonical SMILES for 2-ethyl-7-fluoro-10H-thieno[2,3-b][1,5]benzodiazepine is CCc1cc2c(s1)Nc1ccc(F)cc1N=C2.
What is the InChIKey of 2-ethyl-7-fluoro-10H-thieno[2,3-b][1,5]benzodiazepine?
The InChIKey is BYIWYMBILXQCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2S/c1-2-10-5-8-7-15-12-6-9(14)3-4-11(12)16-13(8)17-10/h3-7,16H,2H2,1H3.
What are the key properties of 2-ethyl-7-fluoro-10H-thieno[2,3-b][1,5]benzodiazepine?
2-ethyl-7-fluoro-10H-thieno[2,3-b][1,5]benzodiazepine has a molecular weight of 246.31 g/mol, XLogP of 4.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7-fluoro-10H-thieno[2,3-b][1,5]benzodiazepine is sourced from PubChem (CID 137190540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).