7-ethyl-5-thiophen-2-yl-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one

C13H12N2OS2 — CID 135450648

IUPAC7-ethyl-5-thiophen-2-yl-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one
SMILESCCc1cc2c(s1)NC(=O)CN=C2c1cccs1
InChIInChI=1S/C13H12N2OS2/c1-2-8-6-9-12(10-4-3-5-17-10)14-7-11(16)15-13(9)18-8/h3-6H,2,7H2,1H3,(H,15,16)
InChIKeyREHUMWGHYZLDJA-UHFFFAOYSA-N
MW276.39 g/mol
LogP3.16
Rot. Bonds2

About 7-ethyl-5-thiophen-2-yl-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one

7-ethyl-5-thiophen-2-yl-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one (PubChem CID 135450648) has the molecular formula C13H12N2OS2 and a molecular weight of 276.39 g/mol. Its IUPAC name is 7-ethyl-5-thiophen-2-yl-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one.

Molecular Properties

Compound Name7-ethyl-5-thiophen-2-yl-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one
PubChem CID135450648
Molecular FormulaC13H12N2OS2
Molecular Weight276.39 g/mol
Exact Mass276.04
IUPAC Name7-ethyl-5-thiophen-2-yl-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one
SMILESCCc1cc2c(s1)NC(=O)CN=C2c1cccs1
InChIInChI=1S/C13H12N2OS2/c1-2-8-6-9-12(10-4-3-5-17-10)14-7-11(16)15-13(9)18-8/h3-6H,2,7H2,1H3,(H,15,16)
InChIKeyREHUMWGHYZLDJA-UHFFFAOYSA-N
XLogP3.16
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.39
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-5-thiophen-2-yl-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one?
The IUPAC name of 7-ethyl-5-thiophen-2-yl-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one (CID 135450648) is 7-ethyl-5-thiophen-2-yl-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one.
What is the SMILES notation for 7-ethyl-5-thiophen-2-yl-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one?
The canonical SMILES for 7-ethyl-5-thiophen-2-yl-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one is CCc1cc2c(s1)NC(=O)CN=C2c1cccs1.
What is the InChIKey of 7-ethyl-5-thiophen-2-yl-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one?
The InChIKey is REHUMWGHYZLDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2OS2/c1-2-8-6-9-12(10-4-3-5-17-10)14-7-11(16)15-13(9)18-8/h3-6H,2,7H2,1H3,(H,15,16).
What are the key properties of 7-ethyl-5-thiophen-2-yl-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one?
7-ethyl-5-thiophen-2-yl-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one has a molecular weight of 276.39 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-5-thiophen-2-yl-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one is sourced from PubChem (CID 135450648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).