7,8-dimethyl-1,3,5,10-tetrahydrothieno[3,4-c][1,5]benzodiazepin-4-one

C13H14N2OS — CID 12521634

IUPAC7,8-dimethyl-1,3,5,10-tetrahydrothieno[3,4-c][1,5]benzodiazepin-4-one
SMILESCc1cc2c(cc1C)NC1=C(CSC1)C(=O)N2
InChIInChI=1S/C13H14N2OS/c1-7-3-10-11(4-8(7)2)15-13(16)9-5-17-6-12(9)14-10/h3-4,14H,5-6H2,1-2H3,(H,15,16)
InChIKeyRULDXZAFGWFRSQ-UHFFFAOYSA-N
MW246.33 g/mol
LogP2.67
Rot. Bonds

About 7,8-dimethyl-1,3,5,10-tetrahydrothieno[3,4-c][1,5]benzodiazepin-4-one

7,8-dimethyl-1,3,5,10-tetrahydrothieno[3,4-c][1,5]benzodiazepin-4-one (PubChem CID 12521634) has the molecular formula C13H14N2OS and a molecular weight of 246.33 g/mol. Its IUPAC name is 7,8-dimethyl-1,3,5,10-tetrahydrothieno[3,4-c][1,5]benzodiazepin-4-one.

Molecular Properties

Compound Name7,8-dimethyl-1,3,5,10-tetrahydrothieno[3,4-c][1,5]benzodiazepin-4-one
PubChem CID12521634
Molecular FormulaC13H14N2OS
Molecular Weight246.33 g/mol
Exact Mass246.08
IUPAC Name7,8-dimethyl-1,3,5,10-tetrahydrothieno[3,4-c][1,5]benzodiazepin-4-one
SMILESCc1cc2c(cc1C)NC1=C(CSC1)C(=O)N2
InChIInChI=1S/C13H14N2OS/c1-7-3-10-11(4-8(7)2)15-13(16)9-5-17-6-12(9)14-10/h3-4,14H,5-6H2,1-2H3,(H,15,16)
InChIKeyRULDXZAFGWFRSQ-UHFFFAOYSA-N
XLogP2.67
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7,8-dimethyl-1,3,5,10-tetrahydrothieno[3,4-c][1,5]benzodiazepin-4-one?
The IUPAC name of 7,8-dimethyl-1,3,5,10-tetrahydrothieno[3,4-c][1,5]benzodiazepin-4-one (CID 12521634) is 7,8-dimethyl-1,3,5,10-tetrahydrothieno[3,4-c][1,5]benzodiazepin-4-one.
What is the SMILES notation for 7,8-dimethyl-1,3,5,10-tetrahydrothieno[3,4-c][1,5]benzodiazepin-4-one?
The canonical SMILES for 7,8-dimethyl-1,3,5,10-tetrahydrothieno[3,4-c][1,5]benzodiazepin-4-one is Cc1cc2c(cc1C)NC1=C(CSC1)C(=O)N2.
What is the InChIKey of 7,8-dimethyl-1,3,5,10-tetrahydrothieno[3,4-c][1,5]benzodiazepin-4-one?
The InChIKey is RULDXZAFGWFRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c1-7-3-10-11(4-8(7)2)15-13(16)9-5-17-6-12(9)14-10/h3-4,14H,5-6H2,1-2H3,(H,15,16).
What are the key properties of 7,8-dimethyl-1,3,5,10-tetrahydrothieno[3,4-c][1,5]benzodiazepin-4-one?
7,8-dimethyl-1,3,5,10-tetrahydrothieno[3,4-c][1,5]benzodiazepin-4-one has a molecular weight of 246.33 g/mol, XLogP of 2.67, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethyl-1,3,5,10-tetrahydrothieno[3,4-c][1,5]benzodiazepin-4-one is sourced from PubChem (CID 12521634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).