5-thiophen-3-yl-1,5-dihydrothieno[3,2-e][1,4]thiazepin-2-one

C11H9NOS3 — CID 53370259

IUPAC5-thiophen-3-yl-1,5-dihydrothieno[3,2-e][1,4]thiazepin-2-one
SMILESO=C1CSC(c2ccsc2)c2sccc2N1
InChIInChI=1S/C11H9NOS3/c13-9-6-16-10(7-1-3-14-5-7)11-8(12-9)2-4-15-11/h1-5,10H,6H2,(H,12,13)
InChIKeyICHYBWLUDOTZOV-UHFFFAOYSA-N
MW267.40 g/mol
LogP3.58
Rot. Bonds1

About 5-thiophen-3-yl-1,5-dihydrothieno[3,2-e][1,4]thiazepin-2-one

5-thiophen-3-yl-1,5-dihydrothieno[3,2-e][1,4]thiazepin-2-one (PubChem CID 53370259) has the molecular formula C11H9NOS3 and a molecular weight of 267.40 g/mol. Its IUPAC name is 5-thiophen-3-yl-1,5-dihydrothieno[3,2-e][1,4]thiazepin-2-one.

Molecular Properties

Compound Name5-thiophen-3-yl-1,5-dihydrothieno[3,2-e][1,4]thiazepin-2-one
PubChem CID53370259
Molecular FormulaC11H9NOS3
Molecular Weight267.40 g/mol
Exact Mass266.98
IUPAC Name5-thiophen-3-yl-1,5-dihydrothieno[3,2-e][1,4]thiazepin-2-one
SMILESO=C1CSC(c2ccsc2)c2sccc2N1
InChIInChI=1S/C11H9NOS3/c13-9-6-16-10(7-1-3-14-5-7)11-8(12-9)2-4-15-11/h1-5,10H,6H2,(H,12,13)
InChIKeyICHYBWLUDOTZOV-UHFFFAOYSA-N
XLogP3.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-thiophen-3-yl-1,5-dihydrothieno[3,2-e][1,4]thiazepin-2-one?
The IUPAC name of 5-thiophen-3-yl-1,5-dihydrothieno[3,2-e][1,4]thiazepin-2-one (CID 53370259) is 5-thiophen-3-yl-1,5-dihydrothieno[3,2-e][1,4]thiazepin-2-one.
What is the SMILES notation for 5-thiophen-3-yl-1,5-dihydrothieno[3,2-e][1,4]thiazepin-2-one?
The canonical SMILES for 5-thiophen-3-yl-1,5-dihydrothieno[3,2-e][1,4]thiazepin-2-one is O=C1CSC(c2ccsc2)c2sccc2N1.
What is the InChIKey of 5-thiophen-3-yl-1,5-dihydrothieno[3,2-e][1,4]thiazepin-2-one?
The InChIKey is ICHYBWLUDOTZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NOS3/c13-9-6-16-10(7-1-3-14-5-7)11-8(12-9)2-4-15-11/h1-5,10H,6H2,(H,12,13).
What are the key properties of 5-thiophen-3-yl-1,5-dihydrothieno[3,2-e][1,4]thiazepin-2-one?
5-thiophen-3-yl-1,5-dihydrothieno[3,2-e][1,4]thiazepin-2-one has a molecular weight of 267.40 g/mol, XLogP of 3.58, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-thiophen-3-yl-1,5-dihydrothieno[3,2-e][1,4]thiazepin-2-one is sourced from PubChem (CID 53370259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).