(1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-(1,3-thiazolidin-4-yl)methanone;dihydrochloride

C14H21Cl2N3OS — CID 119876978

IUPAC(1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-(1,3-thiazolidin-4-yl)methanone;dihydrochloride
SMILESCN1CCN(C(=O)C2CSCN2)Cc2ccccc21.Cl.Cl
InChIInChI=1S/C14H19N3OS.2ClH/c1-16-6-7-17(14(18)12-9-19-10-15-12)8-11-4-2-3-5-13(11)16;;/h2-5,12,15H,6-10H2,1H3;2*1H
InChIKeyKMCZWYRTBPJEBI-UHFFFAOYSA-N
MW350.32 g/mol
LogP1.97
Rot. Bonds1

About (1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-(1,3-thiazolidin-4-yl)methanone;dihydrochloride

(1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-(1,3-thiazolidin-4-yl)methanone;dihydrochloride (PubChem CID 119876978) has the molecular formula C14H21Cl2N3OS and a molecular weight of 350.32 g/mol. Its IUPAC name is (1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-(1,3-thiazolidin-4-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name(1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-(1,3-thiazolidin-4-yl)methanone;dihydrochloride
PubChem CID119876978
Molecular FormulaC14H21Cl2N3OS
Molecular Weight350.32 g/mol
Exact Mass349.08
IUPAC Name(1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-(1,3-thiazolidin-4-yl)methanone;dihydrochloride
SMILESCN1CCN(C(=O)C2CSCN2)Cc2ccccc21.Cl.Cl
InChIInChI=1S/C14H19N3OS.2ClH/c1-16-6-7-17(14(18)12-9-19-10-15-12)8-11-4-2-3-5-13(11)16;;/h2-5,12,15H,6-10H2,1H3;2*1H
InChIKeyKMCZWYRTBPJEBI-UHFFFAOYSA-N
XLogP1.97
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.32
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-(1,3-thiazolidin-4-yl)methanone;dihydrochloride 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

3,4-dihydro-1H-isoquinolin-2-yl(1,3-thiazolidin-4-yl)methanone;hydrochloride
CID 119261638
5,7-dihydrobenzo[d][2]benzazepin-6-yl(1,3-thiazolidin-4-yl)methanone;hydrochloride
CID 119315086
7,8-dihydro-5H-1,6-naphthyridin-6-yl(1,3-thiazolidin-4-yl)methanone
CID 60862417
2-amino-2-methyl-1-(1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)propan-1-one;dihydrochloride
CID 119876914
[4-(2-methylbenzoyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone
CID 110802108
2-phenyl-1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]ethanone
CID 110802605
cyclopropyl-[3-(1-methyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carbonyl)piperidin-1-yl]methanone
CID 71933736
4-phenyl-1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]butan-1-one
CID 119312341
4-[(4S)-1,3-thiazolidine-4-carbonyl]piperazin-2-one;hydrochloride
CID 119267084
[4-(pyridin-2-ylmethyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone
CID 60940163
N-phenyl-2-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]acetamide
CID 110741454
[4-(4-chlorophenyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone;dihydrochloride
CID 119843595

Frequently Asked Questions

What is the IUPAC name of (1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-(1,3-thiazolidin-4-yl)methanone;dihydrochloride?
The IUPAC name of (1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-(1,3-thiazolidin-4-yl)methanone;dihydrochloride (CID 119876978) is (1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-(1,3-thiazolidin-4-yl)methanone;dihydrochloride.
What is the SMILES notation for (1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-(1,3-thiazolidin-4-yl)methanone;dihydrochloride?
The canonical SMILES for (1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-(1,3-thiazolidin-4-yl)methanone;dihydrochloride is CN1CCN(C(=O)C2CSCN2)Cc2ccccc21.Cl.Cl.
What is the InChIKey of (1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-(1,3-thiazolidin-4-yl)methanone;dihydrochloride?
The InChIKey is KMCZWYRTBPJEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS.2ClH/c1-16-6-7-17(14(18)12-9-19-10-15-12)8-11-4-2-3-5-13(11)16;;/h2-5,12,15H,6-10H2,1H3;2*1H.
What are the key properties of (1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-(1,3-thiazolidin-4-yl)methanone;dihydrochloride?
(1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-(1,3-thiazolidin-4-yl)methanone;dihydrochloride has a molecular weight of 350.32 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-(1,3-thiazolidin-4-yl)methanone;dihydrochloride is sourced from PubChem (CID 119876978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).