5-(4-chlorophenyl)-7-iodo-6-methyl-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one

C14H10ClIN2OS — CID 137277833

IUPAC5-(4-chlorophenyl)-7-iodo-6-methyl-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one
SMILESCc1c(I)sc2c1C(c1ccc(Cl)cc1)=NCC(=O)N2
InChIInChI=1S/C14H10ClIN2OS/c1-7-11-12(8-2-4-9(15)5-3-8)17-6-10(19)18-14(11)20-13(7)16/h2-5H,6H2,1H3,(H,18,19)
InChIKeyFKSLNVNGASVBNQ-UHFFFAOYSA-N
MW416.67 g/mol
LogP4.10
Rot. Bonds1

About 5-(4-chlorophenyl)-7-iodo-6-methyl-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one

5-(4-chlorophenyl)-7-iodo-6-methyl-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one (PubChem CID 137277833) has the molecular formula C14H10ClIN2OS and a molecular weight of 416.67 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-7-iodo-6-methyl-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one.

Molecular Properties

Compound Name5-(4-chlorophenyl)-7-iodo-6-methyl-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one
PubChem CID137277833
Molecular FormulaC14H10ClIN2OS
Molecular Weight416.67 g/mol
Exact Mass415.92
IUPAC Name5-(4-chlorophenyl)-7-iodo-6-methyl-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one
SMILESCc1c(I)sc2c1C(c1ccc(Cl)cc1)=NCC(=O)N2
InChIInChI=1S/C14H10ClIN2OS/c1-7-11-12(8-2-4-9(15)5-3-8)17-6-10(19)18-14(11)20-13(7)16/h2-5H,6H2,1H3,(H,18,19)
InChIKeyFKSLNVNGASVBNQ-UHFFFAOYSA-N
XLogP4.10
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.67
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

5-(4-chlorophenyl)-6-methyl-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one
CID 137277832
5-(4-chlorophenyl)-7-methyl-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one
CID 135483392
13-(4-chlorophenyl)-7-thia-9,12-diazatricyclo[6.5.0.02,6]trideca-1(8),2(6),12-trien-10-one
CID 135459264
tert-butyl 2-[(3S)-5-(4-chlorophenyl)-7-iodo-6-methyl-2-oxo-1,3-dihydrothieno[2,3-e][1,4]diazepin-3-yl]acetate
CID 155606079
6,7-dimethyl-5-(2-methylphenyl)-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one
CID 135417469
7-chloro-6-nitro-5-phenyl-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one
CID 135624475
5-(4-chlorophenyl)-6,7-dimethyl-2-oxospiro[1H-thieno[2,3-e][1,4]diazepine-3,3'-azetidine]-1'-carboxylic acid
CID 136591160
7-(4-chlorophenyl)-4-ethyl-5,13-dimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene
CID 144546976
7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene
CID 19696133
6,7-dichloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 24788422
4-(4-chlorophenyl)-2,3-dimethylspiro[8H-thieno[3,2-c]azepine-6,1'-cyclopropane]-7-one
CID 158666618
7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one;hydrochloride
CID 163994713

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-7-iodo-6-methyl-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one?
The IUPAC name of 5-(4-chlorophenyl)-7-iodo-6-methyl-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one (CID 137277833) is 5-(4-chlorophenyl)-7-iodo-6-methyl-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one.
What is the SMILES notation for 5-(4-chlorophenyl)-7-iodo-6-methyl-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one?
The canonical SMILES for 5-(4-chlorophenyl)-7-iodo-6-methyl-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one is Cc1c(I)sc2c1C(c1ccc(Cl)cc1)=NCC(=O)N2.
What is the InChIKey of 5-(4-chlorophenyl)-7-iodo-6-methyl-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one?
The InChIKey is FKSLNVNGASVBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClIN2OS/c1-7-11-12(8-2-4-9(15)5-3-8)17-6-10(19)18-14(11)20-13(7)16/h2-5H,6H2,1H3,(H,18,19).
What are the key properties of 5-(4-chlorophenyl)-7-iodo-6-methyl-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one?
5-(4-chlorophenyl)-7-iodo-6-methyl-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one has a molecular weight of 416.67 g/mol, XLogP of 4.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-7-iodo-6-methyl-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one is sourced from PubChem (CID 137277833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).