7-ethyl-5-(2-fluorophenyl)-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one

C15H13FN2OS — CID 135720344

IUPAC7-ethyl-5-(2-fluorophenyl)-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one
SMILESCCc1cc2c(s1)NC(=O)CN=C2c1ccccc1F
InChIInChI=1S/C15H13FN2OS/c1-2-9-7-11-14(10-5-3-4-6-12(10)16)17-8-13(19)18-15(11)20-9/h3-7H,2,8H2,1H3,(H,18,19)
InChIKeyOIUXDRAIBZLJAE-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.24
Rot. Bonds2

About 7-ethyl-5-(2-fluorophenyl)-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one

7-ethyl-5-(2-fluorophenyl)-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one (PubChem CID 135720344) has the molecular formula C15H13FN2OS and a molecular weight of 288.35 g/mol. Its IUPAC name is 7-ethyl-5-(2-fluorophenyl)-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one.

Molecular Properties

Compound Name7-ethyl-5-(2-fluorophenyl)-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one
PubChem CID135720344
Molecular FormulaC15H13FN2OS
Molecular Weight288.35 g/mol
Exact Mass288.07
IUPAC Name7-ethyl-5-(2-fluorophenyl)-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one
SMILESCCc1cc2c(s1)NC(=O)CN=C2c1ccccc1F
InChIInChI=1S/C15H13FN2OS/c1-2-9-7-11-14(10-5-3-4-6-12(10)16)17-8-13(19)18-15(11)20-9/h3-7H,2,8H2,1H3,(H,18,19)
InChIKeyOIUXDRAIBZLJAE-UHFFFAOYSA-N
XLogP3.24
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-5-(2-fluorophenyl)-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one?
The IUPAC name of 7-ethyl-5-(2-fluorophenyl)-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one (CID 135720344) is 7-ethyl-5-(2-fluorophenyl)-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one.
What is the SMILES notation for 7-ethyl-5-(2-fluorophenyl)-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one?
The canonical SMILES for 7-ethyl-5-(2-fluorophenyl)-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one is CCc1cc2c(s1)NC(=O)CN=C2c1ccccc1F.
What is the InChIKey of 7-ethyl-5-(2-fluorophenyl)-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one?
The InChIKey is OIUXDRAIBZLJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2OS/c1-2-9-7-11-14(10-5-3-4-6-12(10)16)17-8-13(19)18-15(11)20-9/h3-7H,2,8H2,1H3,(H,18,19).
What are the key properties of 7-ethyl-5-(2-fluorophenyl)-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one?
7-ethyl-5-(2-fluorophenyl)-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one has a molecular weight of 288.35 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-5-(2-fluorophenyl)-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one is sourced from PubChem (CID 135720344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).