7-ethyl-5-phenyl-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one

C15H14N2OS — CID 135542321

IUPAC7-ethyl-5-phenyl-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one
SMILESCCc1cc2c(s1)NC(=O)CN=C2c1ccccc1
InChIInChI=1S/C15H14N2OS/c1-2-11-8-12-14(10-6-4-3-5-7-10)16-9-13(18)17-15(12)19-11/h3-8H,2,9H2,1H3,(H,17,18)
InChIKeyDYYPBVQCJWDDLT-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.10
Rot. Bonds2

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

7-ethyl-5-phenyl-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one (PubChem CID 135542321) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is 7-ethyl-5-phenyl-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one.

Molecular Properties

Compound Name7-ethyl-5-phenyl-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one
PubChem CID135542321
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC Name7-ethyl-5-phenyl-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one
SMILESCCc1cc2c(s1)NC(=O)CN=C2c1ccccc1
InChIInChI=1S/C15H14N2OS/c1-2-11-8-12-14(10-6-4-3-5-7-10)16-9-13(18)17-15(12)19-11/h3-8H,2,9H2,1H3,(H,17,18)
InChIKeyDYYPBVQCJWDDLT-UHFFFAOYSA-N
XLogP3.10
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-5-phenyl-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one?
The IUPAC name of 7-ethyl-5-phenyl-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one (CID 135542321) is 7-ethyl-5-phenyl-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one.
What is the SMILES notation for 7-ethyl-5-phenyl-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one?
The canonical SMILES for 7-ethyl-5-phenyl-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one is CCc1cc2c(s1)NC(=O)CN=C2c1ccccc1.
What is the InChIKey of 7-ethyl-5-phenyl-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one?
The InChIKey is DYYPBVQCJWDDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c1-2-11-8-12-14(10-6-4-3-5-7-10)16-9-13(18)17-15(12)19-11/h3-8H,2,9H2,1H3,(H,17,18).
What are the key properties of 7-ethyl-5-phenyl-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one?
7-ethyl-5-phenyl-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one has a molecular weight of 270.36 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-5-phenyl-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one is sourced from PubChem (CID 135542321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).