2,6-bis(3,7,10,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl)-[1,3]thiazolo[5,4-f][1,3]benzothiazole

C28H8N2S10 — CID 170275150

IUPAC2,6-bis(3,7,10,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl)-[1,3]thiazolo[5,4-f][1,3]benzothiazole
SMILESc1cc2sc3c4sc(-c5nc6cc7sc(-c8cc9sc%10c%11sccc%11sc%10c9s8)nc7cc6s5)cc4sc3c2s1
InChIInChI=1S/C28H8N2S10/c1-3-31-19-11(1)33-25-21-15(35-23(19)25)7-17(37-21)27-29-9-5-14-10(6-13(9)39-27)30-28(40-14)18-8-16-22(38-18)26-24(36-16)20-12(34-26)2-4-32-20/h1-8H
InChIKeyAKOIBYJSOSKGSD-UHFFFAOYSA-N
MW693.06 g/mol
LogP13.65
Rot. Bonds2

About 2,6-bis(3,7,10,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl)-[1,3]thiazolo[5,4-f][1,3]benzothiazole

2,6-bis(3,7,10,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl)-[1,3]thiazolo[5,4-f][1,3]benzothiazole (PubChem CID 170275150) has the molecular formula C28H8N2S10 and a molecular weight of 693.06 g/mol. Its IUPAC name is 2,6-bis(3,7,10,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl)-[1,3]thiazolo[5,4-f][1,3]benzothiazole.

Molecular Properties

Compound Name2,6-bis(3,7,10,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl)-[1,3]thiazolo[5,4-f][1,3]benzothiazole
PubChem CID170275150
Molecular FormulaC28H8N2S10
Molecular Weight693.06 g/mol
Exact Mass691.79
IUPAC Name2,6-bis(3,7,10,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl)-[1,3]thiazolo[5,4-f][1,3]benzothiazole
SMILESc1cc2sc3c4sc(-c5nc6cc7sc(-c8cc9sc%10c%11sccc%11sc%10c9s8)nc7cc6s5)cc4sc3c2s1
InChIInChI=1S/C28H8N2S10/c1-3-31-19-11(1)33-25-21-15(35-23(19)25)7-17(37-21)27-29-9-5-14-10(6-13(9)39-27)30-28(40-14)18-8-16-22(38-18)26-24(36-16)20-12(34-26)2-4-32-20/h1-8H
InChIKeyAKOIBYJSOSKGSD-UHFFFAOYSA-N
XLogP13.65
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500693.06
LogP ≤ 513.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2,6-bis(3,7,10,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl)-[1,3]thiazolo[5,4-f][1,3]benzothiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis(3,7,10,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl)-[1,3]thiazolo[5,4-f][1,3]benzothiazole?
The IUPAC name of 2,6-bis(3,7,10,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl)-[1,3]thiazolo[5,4-f][1,3]benzothiazole (CID 170275150) is 2,6-bis(3,7,10,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl)-[1,3]thiazolo[5,4-f][1,3]benzothiazole.
What is the SMILES notation for 2,6-bis(3,7,10,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl)-[1,3]thiazolo[5,4-f][1,3]benzothiazole?
The canonical SMILES for 2,6-bis(3,7,10,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl)-[1,3]thiazolo[5,4-f][1,3]benzothiazole is c1cc2sc3c4sc(-c5nc6cc7sc(-c8cc9sc%10c%11sccc%11sc%10c9s8)nc7cc6s5)cc4sc3c2s1.
What is the InChIKey of 2,6-bis(3,7,10,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl)-[1,3]thiazolo[5,4-f][1,3]benzothiazole?
The InChIKey is AKOIBYJSOSKGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H8N2S10/c1-3-31-19-11(1)33-25-21-15(35-23(19)25)7-17(37-21)27-29-9-5-14-10(6-13(9)39-27)30-28(40-14)18-8-16-22(38-18)26-24(36-16)20-12(34-26)2-4-32-20/h1-8H.
What are the key properties of 2,6-bis(3,7,10,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl)-[1,3]thiazolo[5,4-f][1,3]benzothiazole?
2,6-bis(3,7,10,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl)-[1,3]thiazolo[5,4-f][1,3]benzothiazole has a molecular weight of 693.06 g/mol, XLogP of 13.65, 2 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(3,7,10,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl)-[1,3]thiazolo[5,4-f][1,3]benzothiazole is sourced from PubChem (CID 170275150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).