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

C14H11ClN2OS — CID 135483392

IUPAC5-(4-chlorophenyl)-7-methyl-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one
SMILESCc1cc2c(s1)NC(=O)CN=C2c1ccc(Cl)cc1
InChIInChI=1S/C14H11ClN2OS/c1-8-6-11-13(9-2-4-10(15)5-3-9)16-7-12(18)17-14(11)19-8/h2-6H,7H2,1H3,(H,17,18)
InChIKeySMAWPEAVHJAWTB-UHFFFAOYSA-N
MW290.78 g/mol
LogP3.50
Rot. Bonds1

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

5-(4-chlorophenyl)-7-methyl-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one (PubChem CID 135483392) has the molecular formula C14H11ClN2OS and a molecular weight of 290.78 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-7-methyl-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one.

Molecular Properties

Compound Name5-(4-chlorophenyl)-7-methyl-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one
PubChem CID135483392
Molecular FormulaC14H11ClN2OS
Molecular Weight290.78 g/mol
Exact Mass290.03
IUPAC Name5-(4-chlorophenyl)-7-methyl-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one
SMILESCc1cc2c(s1)NC(=O)CN=C2c1ccc(Cl)cc1
InChIInChI=1S/C14H11ClN2OS/c1-8-6-11-13(9-2-4-10(15)5-3-9)16-7-12(18)17-14(11)19-8/h2-6H,7H2,1H3,(H,17,18)
InChIKeySMAWPEAVHJAWTB-UHFFFAOYSA-N
XLogP3.50
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.78
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

5-(4-chlorophenyl)-7-iodo-6-methyl-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one
CID 137277833
5-(4-chlorophenyl)-6-methyl-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one
CID 137277832
13-(4-chlorophenyl)-7-thia-9,12-diazatricyclo[6.5.0.02,6]trideca-1(8),2(6),12-trien-10-one
CID 135459264
7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one;hydrochloride
CID 163994713
7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one;methylcyclopropane
CID 169181138
7,9-dichloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 24788421
5-(2-chlorophenyl)-7-dodecyl-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one
CID 135423931
5-(2-chlorophenyl)-7-hexyl-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one
CID 135493512
5-(5-chloro-2-methoxyphenyl)-7-[2-[4-(2-methylpropyl)phenyl]ethyl]-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one
CID 139636361
7,9-dimethyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 23275338
7-chloro-5-(3-methoxyphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one
CID 12522161
5-(2-chlorophenyl)-7-[2-[3-(4-methylphenoxy)phenyl]ethyl]-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one
CID 139636358

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-7-methyl-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one?
The IUPAC name of 5-(4-chlorophenyl)-7-methyl-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one (CID 135483392) is 5-(4-chlorophenyl)-7-methyl-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one.
What is the SMILES notation for 5-(4-chlorophenyl)-7-methyl-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one?
The canonical SMILES for 5-(4-chlorophenyl)-7-methyl-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one is Cc1cc2c(s1)NC(=O)CN=C2c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-7-methyl-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one?
The InChIKey is SMAWPEAVHJAWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2OS/c1-8-6-11-13(9-2-4-10(15)5-3-9)16-7-12(18)17-14(11)19-8/h2-6H,7H2,1H3,(H,17,18).
What are the key properties of 5-(4-chlorophenyl)-7-methyl-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one?
5-(4-chlorophenyl)-7-methyl-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one has a molecular weight of 290.78 g/mol, XLogP of 3.50, 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-methyl-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one is sourced from PubChem (CID 135483392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).