6,10,18,22-tetrathia-2,14-diazapentacyclo[19.3.0.03,7.09,13.015,19]tetracosa-1(21),3(7),4,9(13),11,15(19),16,23-octaene

C18H14N2S4 — CID 10572245

IUPAC6,10,18,22-tetrathia-2,14-diazapentacyclo[19.3.0.03,7.09,13.015,19]tetracosa-1(21),3(7),4,9(13),11,15(19),16,23-octaene
SMILESc1cc2c(s1)Cc1sccc1Nc1ccsc1Cc1sccc1N2
InChIInChI=1S/C18H14N2S4/c1-5-21-15-9-16-13(3-7-22-16)20-14-4-8-24-18(14)10-17-12(2-6-23-17)19-11(1)15/h1-8,19-20H,9-10H2
InChIKeyUCXDACDYRWQWSX-UHFFFAOYSA-N
MW386.59 g/mol
LogP6.91
Rot. Bonds

About 6,10,18,22-tetrathia-2,14-diazapentacyclo[19.3.0.03,7.09,13.015,19]tetracosa-1(21),3(7),4,9(13),11,15(19),16,23-octaene

6,10,18,22-tetrathia-2,14-diazapentacyclo[19.3.0.03,7.09,13.015,19]tetracosa-1(21),3(7),4,9(13),11,15(19),16,23-octaene (PubChem CID 10572245) has the molecular formula C18H14N2S4 and a molecular weight of 386.59 g/mol. Its IUPAC name is 6,10,18,22-tetrathia-2,14-diazapentacyclo[19.3.0.03,7.09,13.015,19]tetracosa-1(21),3(7),4,9(13),11,15(19),16,23-octaene.

Molecular Properties

Compound Name6,10,18,22-tetrathia-2,14-diazapentacyclo[19.3.0.03,7.09,13.015,19]tetracosa-1(21),3(7),4,9(13),11,15(19),16,23-octaene
PubChem CID10572245
Molecular FormulaC18H14N2S4
Molecular Weight386.59 g/mol
Exact Mass386.00
IUPAC Name6,10,18,22-tetrathia-2,14-diazapentacyclo[19.3.0.03,7.09,13.015,19]tetracosa-1(21),3(7),4,9(13),11,15(19),16,23-octaene
SMILESc1cc2c(s1)Cc1sccc1Nc1ccsc1Cc1sccc1N2
InChIInChI=1S/C18H14N2S4/c1-5-21-15-9-16-13(3-7-22-16)20-14-4-8-24-18(14)10-17-12(2-6-23-17)19-11(1)15/h1-8,19-20H,9-10H2
InChIKeyUCXDACDYRWQWSX-UHFFFAOYSA-N
XLogP6.91
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.59
LogP ≤ 56.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6,10,18,22-tetrathia-2,14-diazapentacyclo[19.3.0.03,7.09,13.015,19]tetracosa-1(21),3(7),4,9(13),11,15(19),16,23-octaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6,10,18,22-tetrathia-2,14-diazapentacyclo[19.3.0.03,7.09,13.015,19]tetracosa-1(21),3(7),4,9(13),11,15(19),16,23-octaene?
The IUPAC name of 6,10,18,22-tetrathia-2,14-diazapentacyclo[19.3.0.03,7.09,13.015,19]tetracosa-1(21),3(7),4,9(13),11,15(19),16,23-octaene (CID 10572245) is 6,10,18,22-tetrathia-2,14-diazapentacyclo[19.3.0.03,7.09,13.015,19]tetracosa-1(21),3(7),4,9(13),11,15(19),16,23-octaene.
What is the SMILES notation for 6,10,18,22-tetrathia-2,14-diazapentacyclo[19.3.0.03,7.09,13.015,19]tetracosa-1(21),3(7),4,9(13),11,15(19),16,23-octaene?
The canonical SMILES for 6,10,18,22-tetrathia-2,14-diazapentacyclo[19.3.0.03,7.09,13.015,19]tetracosa-1(21),3(7),4,9(13),11,15(19),16,23-octaene is c1cc2c(s1)Cc1sccc1Nc1ccsc1Cc1sccc1N2.
What is the InChIKey of 6,10,18,22-tetrathia-2,14-diazapentacyclo[19.3.0.03,7.09,13.015,19]tetracosa-1(21),3(7),4,9(13),11,15(19),16,23-octaene?
The InChIKey is UCXDACDYRWQWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2S4/c1-5-21-15-9-16-13(3-7-22-16)20-14-4-8-24-18(14)10-17-12(2-6-23-17)19-11(1)15/h1-8,19-20H,9-10H2.
What are the key properties of 6,10,18,22-tetrathia-2,14-diazapentacyclo[19.3.0.03,7.09,13.015,19]tetracosa-1(21),3(7),4,9(13),11,15(19),16,23-octaene?
6,10,18,22-tetrathia-2,14-diazapentacyclo[19.3.0.03,7.09,13.015,19]tetracosa-1(21),3(7),4,9(13),11,15(19),16,23-octaene has a molecular weight of 386.59 g/mol, XLogP of 6.91, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,10,18,22-tetrathia-2,14-diazapentacyclo[19.3.0.03,7.09,13.015,19]tetracosa-1(21),3(7),4,9(13),11,15(19),16,23-octaene is sourced from PubChem (CID 10572245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).