7,10-dimethyl-5H-thieno[3,4-b][1,5]benzodiazepin-4-one

C13H12N2OS — CID 21455256

IUPAC7,10-dimethyl-5H-thieno[3,4-b][1,5]benzodiazepin-4-one
SMILESCc1ccc2c(c1)NC(=O)c1cscc1N2C
InChIInChI=1S/C13H12N2OS/c1-8-3-4-11-10(5-8)14-13(16)9-6-17-7-12(9)15(11)2/h3-7H,1-2H3,(H,14,16)
InChIKeyFUJMRELMFDHXPB-UHFFFAOYSA-N
MW244.32 g/mol
LogP3.39
Rot. Bonds

About 7,10-dimethyl-5H-thieno[3,4-b][1,5]benzodiazepin-4-one

7,10-dimethyl-5H-thieno[3,4-b][1,5]benzodiazepin-4-one (PubChem CID 21455256) has the molecular formula C13H12N2OS and a molecular weight of 244.32 g/mol. Its IUPAC name is 7,10-dimethyl-5H-thieno[3,4-b][1,5]benzodiazepin-4-one.

Molecular Properties

Compound Name7,10-dimethyl-5H-thieno[3,4-b][1,5]benzodiazepin-4-one
PubChem CID21455256
Molecular FormulaC13H12N2OS
Molecular Weight244.32 g/mol
Exact Mass244.07
IUPAC Name7,10-dimethyl-5H-thieno[3,4-b][1,5]benzodiazepin-4-one
SMILESCc1ccc2c(c1)NC(=O)c1cscc1N2C
InChIInChI=1S/C13H12N2OS/c1-8-3-4-11-10(5-8)14-13(16)9-6-17-7-12(9)15(11)2/h3-7H,1-2H3,(H,14,16)
InChIKeyFUJMRELMFDHXPB-UHFFFAOYSA-N
XLogP3.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7,10-dimethyl-5H-thieno[3,4-b][1,5]benzodiazepin-4-one?
The IUPAC name of 7,10-dimethyl-5H-thieno[3,4-b][1,5]benzodiazepin-4-one (CID 21455256) is 7,10-dimethyl-5H-thieno[3,4-b][1,5]benzodiazepin-4-one.
What is the SMILES notation for 7,10-dimethyl-5H-thieno[3,4-b][1,5]benzodiazepin-4-one?
The canonical SMILES for 7,10-dimethyl-5H-thieno[3,4-b][1,5]benzodiazepin-4-one is Cc1ccc2c(c1)NC(=O)c1cscc1N2C.
What is the InChIKey of 7,10-dimethyl-5H-thieno[3,4-b][1,5]benzodiazepin-4-one?
The InChIKey is FUJMRELMFDHXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2OS/c1-8-3-4-11-10(5-8)14-13(16)9-6-17-7-12(9)15(11)2/h3-7H,1-2H3,(H,14,16).
What are the key properties of 7,10-dimethyl-5H-thieno[3,4-b][1,5]benzodiazepin-4-one?
7,10-dimethyl-5H-thieno[3,4-b][1,5]benzodiazepin-4-one has a molecular weight of 244.32 g/mol, XLogP of 3.39, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,10-dimethyl-5H-thieno[3,4-b][1,5]benzodiazepin-4-one is sourced from PubChem (CID 21455256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).