3-ethyl-1-(1,3-thiazol-5-ylmethyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione

C15H15N3O2S — CID 115979756

IUPAC3-ethyl-1-(1,3-thiazol-5-ylmethyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione
SMILESCCC1NC(=O)c2ccccc2N(Cc2cncs2)C1=O
InChIInChI=1S/C15H15N3O2S/c1-2-12-15(20)18(8-10-7-16-9-21-10)13-6-4-3-5-11(13)14(19)17-12/h3-7,9,12H,2,8H2,1H3,(H,17,19)
InChIKeyCVIIBGHOCGEPKK-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.20
Rot. Bonds3

About 3-ethyl-1-(1,3-thiazol-5-ylmethyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione

3-ethyl-1-(1,3-thiazol-5-ylmethyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione (PubChem CID 115979756) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is 3-ethyl-1-(1,3-thiazol-5-ylmethyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-1-(1,3-thiazol-5-ylmethyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione
PubChem CID115979756
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC Name3-ethyl-1-(1,3-thiazol-5-ylmethyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione
SMILESCCC1NC(=O)c2ccccc2N(Cc2cncs2)C1=O
InChIInChI=1S/C15H15N3O2S/c1-2-12-15(20)18(8-10-7-16-9-21-10)13-6-4-3-5-11(13)14(19)17-12/h3-7,9,12H,2,8H2,1H3,(H,17,19)
InChIKeyCVIIBGHOCGEPKK-UHFFFAOYSA-N
XLogP2.20
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-ethyl-1-(1,3-thiazol-5-ylmethyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethyl-1-(2-methylbutyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione
CID 79910662
3-ethyl-1-(oxolan-3-ylmethyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione
CID 79910648
3-ethyl-1-(2-propoxyethyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione
CID 106459188
3-ethyl-1-(oxolan-3-yl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione
CID 79910128
1-butan-2-yl-3-ethyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione
CID 79907697
6-cyclopropyl-3-ethyl-6-methyl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione
CID 115979674
1,3-bis(2-methylpropyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione
CID 79909055
3-methyl-1-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione
CID 79906757
3-methyl-1-propyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione
CID 79910927
5-fluoro-1-(1,3-thiazol-5-ylmethyl)indole-2,3-dione
CID 112640986
1-[(5-ethylthiophen-2-yl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione
CID 79910104
6,6-diethyl-3-methyl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione
CID 112645008

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(1,3-thiazol-5-ylmethyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione?
The IUPAC name of 3-ethyl-1-(1,3-thiazol-5-ylmethyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione (CID 115979756) is 3-ethyl-1-(1,3-thiazol-5-ylmethyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione.
What is the SMILES notation for 3-ethyl-1-(1,3-thiazol-5-ylmethyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione?
The canonical SMILES for 3-ethyl-1-(1,3-thiazol-5-ylmethyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione is CCC1NC(=O)c2ccccc2N(Cc2cncs2)C1=O.
What is the InChIKey of 3-ethyl-1-(1,3-thiazol-5-ylmethyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione?
The InChIKey is CVIIBGHOCGEPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-2-12-15(20)18(8-10-7-16-9-21-10)13-6-4-3-5-11(13)14(19)17-12/h3-7,9,12H,2,8H2,1H3,(H,17,19).
What are the key properties of 3-ethyl-1-(1,3-thiazol-5-ylmethyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione?
3-ethyl-1-(1,3-thiazol-5-ylmethyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione has a molecular weight of 301.37 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(1,3-thiazol-5-ylmethyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione is sourced from PubChem (CID 115979756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).