(1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-thiophen-2-ylmethanone

C15H16N2OS — CID 71879608

IUPAC(1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-thiophen-2-ylmethanone
SMILESCN1CCN(C(=O)c2cccs2)Cc2ccccc21
InChIInChI=1S/C15H16N2OS/c1-16-8-9-17(15(18)14-7-4-10-19-14)11-12-5-2-3-6-13(12)16/h2-7,10H,8-9,11H2,1H3
InChIKeyDMAJMTCODGHQOM-UHFFFAOYSA-N
MW272.37 g/mol
LogP2.84
Rot. Bonds1

About (1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-thiophen-2-ylmethanone

(1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-thiophen-2-ylmethanone (PubChem CID 71879608) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is (1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-thiophen-2-ylmethanone
PubChem CID71879608
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC Name(1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-thiophen-2-ylmethanone
SMILESCN1CCN(C(=O)c2cccs2)Cc2ccccc21
InChIInChI=1S/C15H16N2OS/c1-16-8-9-17(15(18)14-7-4-10-19-14)11-12-5-2-3-6-13(12)16/h2-7,10H,8-9,11H2,1H3
InChIKeyDMAJMTCODGHQOM-UHFFFAOYSA-N
XLogP2.84
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-thiophen-2-ylmethanone 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

Thiofuranylfentanyl
CID 137700027
N-(2-Ethylphenyl)-2-thiophenecarboxamide
CID 765411
Thiophene-2-carboxylic acid [2-(1-methyl-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-2-yl)-ethyl]-amide
CID 10430432
Piperazine, 1-phenyl-4-(2-thenoyl)-
CID 259478
3-(4-(Dimethylamino)phenyl)-1-(2-thienyl)-2-propen-1-one
CID 5709353
N-[2-[(2S)-1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl]ethyl]thiophene-2-carboxamide
CID 15548354
(4-Phenylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 685850
N-[2-(piperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 827614
1-(3,4-Dimethylphenyl)-4-(2-thienylcarbonyl)piperazine
CID 893048
[4-(2,4-Dimethyl-phenyl)-piperazin-1-yl]-thiophen-2-yl-methanone
CID 969684
1-(Thiophene-2-carbonyl)-piperidine-4-carboxylic acid (2-ethyl-phenyl)-amide
CID 1075536
1-{4-[4-(2-Thienylacetyl)-1-piperazinyl]phenyl}ethanone
CID 1246653

Frequently Asked Questions

What is the IUPAC name of (1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-thiophen-2-ylmethanone?
The IUPAC name of (1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-thiophen-2-ylmethanone (CID 71879608) is (1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-thiophen-2-ylmethanone.
What is the SMILES notation for (1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-thiophen-2-ylmethanone?
The canonical SMILES for (1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-thiophen-2-ylmethanone is CN1CCN(C(=O)c2cccs2)Cc2ccccc21.
What is the InChIKey of (1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-thiophen-2-ylmethanone?
The InChIKey is DMAJMTCODGHQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-16-8-9-17(15(18)14-7-4-10-19-14)11-12-5-2-3-6-13(12)16/h2-7,10H,8-9,11H2,1H3.
What are the key properties of (1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-thiophen-2-ylmethanone?
(1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-thiophen-2-ylmethanone has a molecular weight of 272.37 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-thiophen-2-ylmethanone is sourced from PubChem (CID 71879608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).