1-methyl-5-thiophen-2-yl-3H-1,4-benzodiazepin-2-one

C14H12N2OS — CID 67561308

IUPAC1-methyl-5-thiophen-2-yl-3H-1,4-benzodiazepin-2-one
SMILESCN1C(=O)CN=C(c2cccs2)c2ccccc21
InChIInChI=1S/C14H12N2OS/c1-16-11-6-3-2-5-10(11)14(15-9-13(16)17)12-7-4-8-18-12/h2-8H,9H2,1H3
InChIKeyDXMHUSGJBFDYLS-UHFFFAOYSA-N
MW256.33 g/mol
LogP2.56
Rot. Bonds1

About 1-methyl-5-thiophen-2-yl-3H-1,4-benzodiazepin-2-one

1-methyl-5-thiophen-2-yl-3H-1,4-benzodiazepin-2-one (PubChem CID 67561308) has the molecular formula C14H12N2OS and a molecular weight of 256.33 g/mol. Its IUPAC name is 1-methyl-5-thiophen-2-yl-3H-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name1-methyl-5-thiophen-2-yl-3H-1,4-benzodiazepin-2-one
PubChem CID67561308
Molecular FormulaC14H12N2OS
Molecular Weight256.33 g/mol
Exact Mass256.07
IUPAC Name1-methyl-5-thiophen-2-yl-3H-1,4-benzodiazepin-2-one
SMILESCN1C(=O)CN=C(c2cccs2)c2ccccc21
InChIInChI=1S/C14H12N2OS/c1-16-11-6-3-2-5-10(11)14(15-9-13(16)17)12-7-4-8-18-12/h2-8H,9H2,1H3
InChIKeyDXMHUSGJBFDYLS-UHFFFAOYSA-N
XLogP2.56
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-methyl-5-thiophen-2-yl-3H-1,4-benzodiazepin-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 1-methyl-5-thiophen-2-yl-3H-1,4-benzodiazepin-2-one?
The IUPAC name of 1-methyl-5-thiophen-2-yl-3H-1,4-benzodiazepin-2-one (CID 67561308) is 1-methyl-5-thiophen-2-yl-3H-1,4-benzodiazepin-2-one.
What is the SMILES notation for 1-methyl-5-thiophen-2-yl-3H-1,4-benzodiazepin-2-one?
The canonical SMILES for 1-methyl-5-thiophen-2-yl-3H-1,4-benzodiazepin-2-one is CN1C(=O)CN=C(c2cccs2)c2ccccc21.
What is the InChIKey of 1-methyl-5-thiophen-2-yl-3H-1,4-benzodiazepin-2-one?
The InChIKey is DXMHUSGJBFDYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS/c1-16-11-6-3-2-5-10(11)14(15-9-13(16)17)12-7-4-8-18-12/h2-8H,9H2,1H3.
What are the key properties of 1-methyl-5-thiophen-2-yl-3H-1,4-benzodiazepin-2-one?
1-methyl-5-thiophen-2-yl-3H-1,4-benzodiazepin-2-one has a molecular weight of 256.33 g/mol, XLogP of 2.56, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-thiophen-2-yl-3H-1,4-benzodiazepin-2-one is sourced from PubChem (CID 67561308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).