10-ethyl-3,5-dihydro-1H-thieno[3,4-c][1,5]benzodiazepin-4-one

C13H14N2OS — CID 12521636

IUPAC10-ethyl-3,5-dihydro-1H-thieno[3,4-c][1,5]benzodiazepin-4-one
SMILESCCN1C2=C(CSC2)C(=O)Nc2ccccc21
InChIInChI=1S/C13H14N2OS/c1-2-15-11-6-4-3-5-10(11)14-13(16)9-7-17-8-12(9)15/h3-6H,2,7-8H2,1H3,(H,14,16)
InChIKeyOUDUXLCGISXXIS-UHFFFAOYSA-N
MW246.33 g/mol
LogP2.47
Rot. Bonds1

About 10-ethyl-3,5-dihydro-1H-thieno[3,4-c][1,5]benzodiazepin-4-one

10-ethyl-3,5-dihydro-1H-thieno[3,4-c][1,5]benzodiazepin-4-one (PubChem CID 12521636) has the molecular formula C13H14N2OS and a molecular weight of 246.33 g/mol. Its IUPAC name is 10-ethyl-3,5-dihydro-1H-thieno[3,4-c][1,5]benzodiazepin-4-one.

Molecular Properties

Compound Name10-ethyl-3,5-dihydro-1H-thieno[3,4-c][1,5]benzodiazepin-4-one
PubChem CID12521636
Molecular FormulaC13H14N2OS
Molecular Weight246.33 g/mol
Exact Mass246.08
IUPAC Name10-ethyl-3,5-dihydro-1H-thieno[3,4-c][1,5]benzodiazepin-4-one
SMILESCCN1C2=C(CSC2)C(=O)Nc2ccccc21
InChIInChI=1S/C13H14N2OS/c1-2-15-11-6-4-3-5-10(11)14-13(16)9-7-17-8-12(9)15/h3-6H,2,7-8H2,1H3,(H,14,16)
InChIKeyOUDUXLCGISXXIS-UHFFFAOYSA-N
XLogP2.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

10-[2-[2-[(dimethylamino)methyl]piperidin-1-yl]acetyl]-3,5-dihydro-1H-thieno[3,4-c][1,5]benzodiazepin-4-one
CID 150210505
5-butyl-3,3-dimethyl-1,2-dihydro-1,5-benzodiazepin-4-one
CID 117015905
4-ethyl-2,3-dihydro-1H-quinoxaline
CID 3056887
N-(5-ethyl-10H-phenazin-1-yl)acetamide
CID 67351462
10-(2-chloroacetyl)-3-ethyl-5H-pyrazolo[5,4-c][1,5]benzodiazepin-4-one
CID 20549937
1-ethylspiro[4H-1,4-benzodiazepine-3,1'-cyclopentane]-2,5-dione
CID 79910659
3-ethyl-4-trimethylsilyl-1,3-dihydroquinoxalin-2-one
CID 91735401
1-but-3-ynyl-3,4-dihydroquinoxalin-2-one
CID 63643833
(2Z)-5-decyl-2-(2-oxopropylidene)-1H-1,5-benzodiazepin-4-one
CID 139048876
6-ethyl-2-phenyl-11H-pyrimido[5,4-c][1,5]benzodiazepin-5-one
CID 20554331
7,8-dimethyl-1,3,5,10-tetrahydrothieno[3,4-c][1,5]benzodiazepin-4-one
CID 12521634
1-ethylspiro[indole-3,3'-pyrrolidine]-2-one
CID 121199787

Frequently Asked Questions

What is the IUPAC name of 10-ethyl-3,5-dihydro-1H-thieno[3,4-c][1,5]benzodiazepin-4-one?
The IUPAC name of 10-ethyl-3,5-dihydro-1H-thieno[3,4-c][1,5]benzodiazepin-4-one (CID 12521636) is 10-ethyl-3,5-dihydro-1H-thieno[3,4-c][1,5]benzodiazepin-4-one.
What is the SMILES notation for 10-ethyl-3,5-dihydro-1H-thieno[3,4-c][1,5]benzodiazepin-4-one?
The canonical SMILES for 10-ethyl-3,5-dihydro-1H-thieno[3,4-c][1,5]benzodiazepin-4-one is CCN1C2=C(CSC2)C(=O)Nc2ccccc21.
What is the InChIKey of 10-ethyl-3,5-dihydro-1H-thieno[3,4-c][1,5]benzodiazepin-4-one?
The InChIKey is OUDUXLCGISXXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c1-2-15-11-6-4-3-5-10(11)14-13(16)9-7-17-8-12(9)15/h3-6H,2,7-8H2,1H3,(H,14,16).
What are the key properties of 10-ethyl-3,5-dihydro-1H-thieno[3,4-c][1,5]benzodiazepin-4-one?
10-ethyl-3,5-dihydro-1H-thieno[3,4-c][1,5]benzodiazepin-4-one has a molecular weight of 246.33 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-ethyl-3,5-dihydro-1H-thieno[3,4-c][1,5]benzodiazepin-4-one is sourced from PubChem (CID 12521636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).