13lambda4,17-dithia-2,9,12,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,13-octaen-15-one

C11H4N4OS2 — CID 15828734

IUPAC13lambda4,17-dithia-2,9,12,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,13-octaen-15-one
SMILESO=C1N=S=Nc2c1sc1nc3ccccc3nc21
InChIInChI=1S/C11H4N4OS2/c16-10-9-7(14-18-15-10)8-11(17-9)13-6-4-2-1-3-5(6)12-8/h1-4H
InChIKeyFBKXZHHIKCTTLL-UHFFFAOYSA-N
MW272.31 g/mol
LogP3.08
Rot. Bonds

About 13lambda4,17-dithia-2,9,12,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,13-octaen-15-one

13lambda4,17-dithia-2,9,12,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,13-octaen-15-one (PubChem CID 15828734) has the molecular formula C11H4N4OS2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 13lambda4,17-dithia-2,9,12,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,13-octaen-15-one.

Molecular Properties

Compound Name13lambda4,17-dithia-2,9,12,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,13-octaen-15-one
PubChem CID15828734
Molecular FormulaC11H4N4OS2
Molecular Weight272.31 g/mol
Exact Mass271.98
IUPAC Name13lambda4,17-dithia-2,9,12,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,13-octaen-15-one
SMILESO=C1N=S=Nc2c1sc1nc3ccccc3nc21
InChIInChI=1S/C11H4N4OS2/c16-10-9-7(14-18-15-10)8-11(17-9)13-6-4-2-1-3-5(6)12-8/h1-4H
InChIKeyFBKXZHHIKCTTLL-UHFFFAOYSA-N
XLogP3.08
TPSA67.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 13lambda4,17-dithia-2,9,12,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,13-octaen-15-one with MolForge

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Related Compounds

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CID 1229569
N-allyl-2-aminothieno[2,3-b]quinoxaline-3-carboxamide
CID 2388413
2-methylpyrimido[4',5':4,5]thieno[2,3-b]quinoxalin-4(3H)-one
CID 135511851
Thieno[3,4-b]quinoxaline-1,3-dicarbaldehyde
CID 10586230
3-Aminothieno[2,3-b]quinoxaline-2-carboxamide
CID 15828723
17-Thia-2,9,12,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12-heptaen-15-one
CID 135417215
17-Thia-2,9,12,13,14-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12-heptaen-15-one
CID 147492909
3-Aminothieno[3,2-b]quinoxaline-2-carboxamide;17-thia-2,9,12,13,14-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12-heptaen-15-one
CID 157502732
3-Aminothieno[3,2-b]quinoxaline-2-carbohydrazide
CID 10106611
N-acetyl-N-(13-methyl-15-oxo-17-thia-2,9,12,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12-heptaen-14-yl)acetamide
CID 10248383
13-Methyl-14-oxa-17-thia-2,9,12-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12-heptaen-15-one
CID 10265071
N-[2-(formamidocarbamoyl)thieno[3,2-b]quinoxalin-3-yl]formamide
CID 10380971

Frequently Asked Questions

What is the IUPAC name of 13lambda4,17-dithia-2,9,12,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,13-octaen-15-one?
The IUPAC name of 13lambda4,17-dithia-2,9,12,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,13-octaen-15-one (CID 15828734) is 13lambda4,17-dithia-2,9,12,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,13-octaen-15-one.
What is the SMILES notation for 13lambda4,17-dithia-2,9,12,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,13-octaen-15-one?
The canonical SMILES for 13lambda4,17-dithia-2,9,12,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,13-octaen-15-one is O=C1N=S=Nc2c1sc1nc3ccccc3nc21.
What is the InChIKey of 13lambda4,17-dithia-2,9,12,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,13-octaen-15-one?
The InChIKey is FBKXZHHIKCTTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4N4OS2/c16-10-9-7(14-18-15-10)8-11(17-9)13-6-4-2-1-3-5(6)12-8/h1-4H.
What are the key properties of 13lambda4,17-dithia-2,9,12,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,13-octaen-15-one?
13lambda4,17-dithia-2,9,12,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,13-octaen-15-one has a molecular weight of 272.31 g/mol, XLogP of 3.08, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 13lambda4,17-dithia-2,9,12,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,13-octaen-15-one is sourced from PubChem (CID 15828734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).