5-(2-bromophenyl)-7-ethyl-N,N-dimethyl-2,3-dihydrothieno[2,3-e][1,4]diazepine-1-carboxamide;hydrochloride

C18H21BrClN3OS — CID 21451010

IUPAC5-(2-bromophenyl)-7-ethyl-N,N-dimethyl-2,3-dihydrothieno[2,3-e][1,4]diazepine-1-carboxamide;hydrochloride
SMILESCCc1cc2c(s1)N(C(=O)N(C)C)CCN=C2c1ccccc1Br.Cl
InChIInChI=1S/C18H20BrN3OS.ClH/c1-4-12-11-14-16(13-7-5-6-8-15(13)19)20-9-10-22(17(14)24-12)18(23)21(2)3;/h5-8,11H,4,9-10H2,1-3H3;1H
InChIKeyADHUHMPNSWLIOC-UHFFFAOYSA-N
MW442.81 g/mol
LogP4.83
Rot. Bonds2

About 5-(2-bromophenyl)-7-ethyl-N,N-dimethyl-2,3-dihydrothieno[2,3-e][1,4]diazepine-1-carboxamide;hydrochloride

5-(2-bromophenyl)-7-ethyl-N,N-dimethyl-2,3-dihydrothieno[2,3-e][1,4]diazepine-1-carboxamide;hydrochloride (PubChem CID 21451010) has the molecular formula C18H21BrClN3OS and a molecular weight of 442.81 g/mol. Its IUPAC name is 5-(2-bromophenyl)-7-ethyl-N,N-dimethyl-2,3-dihydrothieno[2,3-e][1,4]diazepine-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-(2-bromophenyl)-7-ethyl-N,N-dimethyl-2,3-dihydrothieno[2,3-e][1,4]diazepine-1-carboxamide;hydrochloride
PubChem CID21451010
Molecular FormulaC18H21BrClN3OS
Molecular Weight442.81 g/mol
Exact Mass441.03
IUPAC Name5-(2-bromophenyl)-7-ethyl-N,N-dimethyl-2,3-dihydrothieno[2,3-e][1,4]diazepine-1-carboxamide;hydrochloride
SMILESCCc1cc2c(s1)N(C(=O)N(C)C)CCN=C2c1ccccc1Br.Cl
InChIInChI=1S/C18H20BrN3OS.ClH/c1-4-12-11-14-16(13-7-5-6-8-15(13)19)20-9-10-22(17(14)24-12)18(23)21(2)3;/h5-8,11H,4,9-10H2,1-3H3;1H
InChIKeyADHUHMPNSWLIOC-UHFFFAOYSA-N
XLogP4.83
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.81
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(2-bromophenyl)-7-ethyl-N,N-dimethyl-2,3-dihydrothieno[2,3-e][1,4]diazepine-1-carboxamide;hydrochloride 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

7-ethyl-N,N-dimethyl-5-(2-methylphenyl)-2,3-dihydrothieno[2,3-e][1,4]diazepine-1-carboxamide
CID 13251432
5-(2-chlorophenyl)-7-ethyl-2,3-dihydrothieno[2,3-e][1,4]diazepine-1-carbonyl chloride;hydrochloride
CID 21451007
5-(3,4-dichlorophenyl)-7-ethyl-N,N-dimethyl-2,3-dihydrothieno[2,3-e][1,4]diazepine-1-carboxamide;hydrochloride
CID 21450980
5-(2-chlorophenyl)-7-ethyl-1-methyl-2,3-dihydrothieno[2,3-e][1,4]diazepin-3-ol
CID 142641555
7-(2-chlorophenyl)-4-ethyl-13-propan-2-yl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene
CID 67728003
[5-(2-chlorophenyl)-7-ethyl-1-methyl-2-oxo-3H-thieno[2,3-e][1,4]diazepin-3-yl] N-(3-methylphenyl)carbamate
CID 67801028
2-[2-[7-(2-chlorophenyl)-4-ethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-13-yl]ethyl]isoindole-1,3-dione
CID 67727950
2-[2-[[7-(2-chlorophenyl)-4-ethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-13-yl]-methylcarbamoyl]indol-1-yl]acetic acid
CID 67727724
1-[[7-(2-chlorophenyl)-4-ethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-13-yl]methyl]-3-(4-methoxyphenyl)urea
CID 67728158
(4R)-4-[7-(2-chlorophenyl)-4-ethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-13-yl]-4-[(3,4-dichlorobenzoyl)amino]butanoic acid
CID 67727687
2-[7-(2-chlorophenyl)-13-methyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-4-yl]acetamide
CID 3087287
[7-(2-chlorophenyl)-4-ethyl-13-methyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl] N-(3-methylphenyl)carbamate
CID 67801033

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromophenyl)-7-ethyl-N,N-dimethyl-2,3-dihydrothieno[2,3-e][1,4]diazepine-1-carboxamide;hydrochloride?
The IUPAC name of 5-(2-bromophenyl)-7-ethyl-N,N-dimethyl-2,3-dihydrothieno[2,3-e][1,4]diazepine-1-carboxamide;hydrochloride (CID 21451010) is 5-(2-bromophenyl)-7-ethyl-N,N-dimethyl-2,3-dihydrothieno[2,3-e][1,4]diazepine-1-carboxamide;hydrochloride.
What is the SMILES notation for 5-(2-bromophenyl)-7-ethyl-N,N-dimethyl-2,3-dihydrothieno[2,3-e][1,4]diazepine-1-carboxamide;hydrochloride?
The canonical SMILES for 5-(2-bromophenyl)-7-ethyl-N,N-dimethyl-2,3-dihydrothieno[2,3-e][1,4]diazepine-1-carboxamide;hydrochloride is CCc1cc2c(s1)N(C(=O)N(C)C)CCN=C2c1ccccc1Br.Cl.
What is the InChIKey of 5-(2-bromophenyl)-7-ethyl-N,N-dimethyl-2,3-dihydrothieno[2,3-e][1,4]diazepine-1-carboxamide;hydrochloride?
The InChIKey is ADHUHMPNSWLIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN3OS.ClH/c1-4-12-11-14-16(13-7-5-6-8-15(13)19)20-9-10-22(17(14)24-12)18(23)21(2)3;/h5-8,11H,4,9-10H2,1-3H3;1H.
What are the key properties of 5-(2-bromophenyl)-7-ethyl-N,N-dimethyl-2,3-dihydrothieno[2,3-e][1,4]diazepine-1-carboxamide;hydrochloride?
5-(2-bromophenyl)-7-ethyl-N,N-dimethyl-2,3-dihydrothieno[2,3-e][1,4]diazepine-1-carboxamide;hydrochloride has a molecular weight of 442.81 g/mol, XLogP of 4.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromophenyl)-7-ethyl-N,N-dimethyl-2,3-dihydrothieno[2,3-e][1,4]diazepine-1-carboxamide;hydrochloride is sourced from PubChem (CID 21451010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).