6,7-dimethyl-5-(2-methylphenyl)-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one

C16H16N2OS — CID 135417469

IUPAC6,7-dimethyl-5-(2-methylphenyl)-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one
SMILESCc1ccccc1C1=NCC(=O)Nc2sc(C)c(C)c21
InChIInChI=1S/C16H16N2OS/c1-9-6-4-5-7-12(9)15-14-10(2)11(3)20-16(14)18-13(19)8-17-15/h4-7H,8H2,1-3H3,(H,18,19)
InChIKeyZSDDILLRTQRCFA-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.46
Rot. Bonds1

About 6,7-dimethyl-5-(2-methylphenyl)-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one

6,7-dimethyl-5-(2-methylphenyl)-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one (PubChem CID 135417469) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is 6,7-dimethyl-5-(2-methylphenyl)-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one.

Molecular Properties

Compound Name6,7-dimethyl-5-(2-methylphenyl)-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one
PubChem CID135417469
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC Name6,7-dimethyl-5-(2-methylphenyl)-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one
SMILESCc1ccccc1C1=NCC(=O)Nc2sc(C)c(C)c21
InChIInChI=1S/C16H16N2OS/c1-9-6-4-5-7-12(9)15-14-10(2)11(3)20-16(14)18-13(19)8-17-15/h4-7H,8H2,1-3H3,(H,18,19)
InChIKeyZSDDILLRTQRCFA-UHFFFAOYSA-N
XLogP3.46
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6,7-dimethyl-5-(2-methylphenyl)-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

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-5-(2-methylphenyl)-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one?
The IUPAC name of 6,7-dimethyl-5-(2-methylphenyl)-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one (CID 135417469) is 6,7-dimethyl-5-(2-methylphenyl)-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one.
What is the SMILES notation for 6,7-dimethyl-5-(2-methylphenyl)-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one?
The canonical SMILES for 6,7-dimethyl-5-(2-methylphenyl)-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one is Cc1ccccc1C1=NCC(=O)Nc2sc(C)c(C)c21.
What is the InChIKey of 6,7-dimethyl-5-(2-methylphenyl)-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one?
The InChIKey is ZSDDILLRTQRCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c1-9-6-4-5-7-12(9)15-14-10(2)11(3)20-16(14)18-13(19)8-17-15/h4-7H,8H2,1-3H3,(H,18,19).
What are the key properties of 6,7-dimethyl-5-(2-methylphenyl)-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one?
6,7-dimethyl-5-(2-methylphenyl)-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one has a molecular weight of 284.38 g/mol, XLogP of 3.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-5-(2-methylphenyl)-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one is sourced from PubChem (CID 135417469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).