5-[2-(dimethylamino)ethyl]-10-methylthieno[3,4-c][1,5]benzodiazepin-4-one

C16H19N3OS — CID 21455235

IUPAC5-[2-(dimethylamino)ethyl]-10-methylthieno[3,4-c][1,5]benzodiazepin-4-one
SMILESCN(C)CCN1C(=O)c2cscc2N(C)c2ccccc21
InChIInChI=1S/C16H19N3OS/c1-17(2)8-9-19-14-7-5-4-6-13(14)18(3)15-11-21-10-12(15)16(19)20/h4-7,10-11H,8-9H2,1-3H3
InChIKeyWJWHYBCXJNSZDQ-UHFFFAOYSA-N
MW301.42 g/mol
LogP3.04
Rot. Bonds3

About 5-[2-(dimethylamino)ethyl]-10-methylthieno[3,4-c][1,5]benzodiazepin-4-one

5-[2-(dimethylamino)ethyl]-10-methylthieno[3,4-c][1,5]benzodiazepin-4-one (PubChem CID 21455235) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is 5-[2-(dimethylamino)ethyl]-10-methylthieno[3,4-c][1,5]benzodiazepin-4-one.

Molecular Properties

Compound Name5-[2-(dimethylamino)ethyl]-10-methylthieno[3,4-c][1,5]benzodiazepin-4-one
PubChem CID21455235
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC Name5-[2-(dimethylamino)ethyl]-10-methylthieno[3,4-c][1,5]benzodiazepin-4-one
SMILESCN(C)CCN1C(=O)c2cscc2N(C)c2ccccc21
InChIInChI=1S/C16H19N3OS/c1-17(2)8-9-19-14-7-5-4-6-13(14)18(3)15-11-21-10-12(15)16(19)20/h4-7,10-11H,8-9H2,1-3H3
InChIKeyWJWHYBCXJNSZDQ-UHFFFAOYSA-N
XLogP3.04
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Telenzepine
CID 5387
10H-Thieno(3,4-b)(1,5)benzodiazepin-10-one, 4,9-dihydro-4-((4-methyl-1-piperazinyl)acetyl)-
CID 3067217
Telenzepine dihydrochloride
CID 6419995
Telenzepine hydrochloride
CID 182856
10-[2-[4-(10-aminodecyl)piperazin-1-yl]acetyl]-1-methyl-5H-thieno[3,4-b][1,5]benzodiazepin-4-one
CID 9892600
LY-301664
CID 29978685
(1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-thiophen-2-ylmethanone
CID 71879608
1-Methyl-5-(thiophene-2-carbonyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
CID 91911927
1-Methyl-5-(3-methylthiophene-2-carbonyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
CID 91911932
1-Methyl-5-(thiophene-3-carbonyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
CID 91911941
cyclopropyl-[5-(thiophene-2-carbonyl)-3,4-dihydro-2H-1,5-benzodiazepin-1-yl]methanone
CID 91924216
1-methyl-10-[2-(4-methylpiperazin-1-yl)acetyl]-5H-thieno[3,4-b][1,5]benzodiazepin-4-one;trihydrochloride
CID 129718269

Frequently Asked Questions

What is the IUPAC name of 5-[2-(dimethylamino)ethyl]-10-methylthieno[3,4-c][1,5]benzodiazepin-4-one?
The IUPAC name of 5-[2-(dimethylamino)ethyl]-10-methylthieno[3,4-c][1,5]benzodiazepin-4-one (CID 21455235) is 5-[2-(dimethylamino)ethyl]-10-methylthieno[3,4-c][1,5]benzodiazepin-4-one.
What is the SMILES notation for 5-[2-(dimethylamino)ethyl]-10-methylthieno[3,4-c][1,5]benzodiazepin-4-one?
The canonical SMILES for 5-[2-(dimethylamino)ethyl]-10-methylthieno[3,4-c][1,5]benzodiazepin-4-one is CN(C)CCN1C(=O)c2cscc2N(C)c2ccccc21.
What is the InChIKey of 5-[2-(dimethylamino)ethyl]-10-methylthieno[3,4-c][1,5]benzodiazepin-4-one?
The InChIKey is WJWHYBCXJNSZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-17(2)8-9-19-14-7-5-4-6-13(14)18(3)15-11-21-10-12(15)16(19)20/h4-7,10-11H,8-9H2,1-3H3.
What are the key properties of 5-[2-(dimethylamino)ethyl]-10-methylthieno[3,4-c][1,5]benzodiazepin-4-one?
5-[2-(dimethylamino)ethyl]-10-methylthieno[3,4-c][1,5]benzodiazepin-4-one has a molecular weight of 301.42 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dimethylamino)ethyl]-10-methylthieno[3,4-c][1,5]benzodiazepin-4-one is sourced from PubChem (CID 21455235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).