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

C26H8N2S10 — CID 170275089

IUPAC5-(3,7,10,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl)-2-[5-(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-thiazol-2-yl]-1,3-thiazole
SMILESc1cc2sc3c4sc(-c5cnc(-c6ncc(-c7cc8sc9c%10sccc%10sc9c8s7)s6)s5)cc4sc3c2s1
InChIInChI=1S/C26H8N2S10/c1-3-29-17-9(1)31-23-19-13(35-21(17)23)5-11(33-19)15-7-27-25(37-15)26-28-8-16(38-26)12-6-14-20(34-12)24-22(36-14)18-10(32-24)2-4-30-18/h1-8H
InChIKeyXLJGMPCNXIEGFP-UHFFFAOYSA-N
MW669.03 g/mol
LogP13.01
Rot. Bonds3

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

5-(3,7,10,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl)-2-[5-(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-thiazol-2-yl]-1,3-thiazole (PubChem CID 170275089) has the molecular formula C26H8N2S10 and a molecular weight of 669.03 g/mol. Its IUPAC name is 5-(3,7,10,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl)-2-[5-(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-thiazol-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name5-(3,7,10,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl)-2-[5-(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-thiazol-2-yl]-1,3-thiazole
PubChem CID170275089
Molecular FormulaC26H8N2S10
Molecular Weight669.03 g/mol
Exact Mass667.79
IUPAC Name5-(3,7,10,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl)-2-[5-(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-thiazol-2-yl]-1,3-thiazole
SMILESc1cc2sc3c4sc(-c5cnc(-c6ncc(-c7cc8sc9c%10sccc%10sc9c8s7)s6)s5)cc4sc3c2s1
InChIInChI=1S/C26H8N2S10/c1-3-29-17-9(1)31-23-19-13(35-21(17)23)5-11(33-19)15-7-27-25(37-15)26-28-8-16(38-26)12-6-14-20(34-12)24-22(36-14)18-10(32-24)2-4-30-18/h1-8H
InChIKeyXLJGMPCNXIEGFP-UHFFFAOYSA-N
XLogP13.01
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500669.03
LogP ≤ 513.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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

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Related Compounds

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
4-thieno[3,2-b]thiophen-5-yl-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
CID 126710615
2-(3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)pyridin-4-amine
CID 132552646
3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-4-thiol
CID 175953151
2,5-bis[2-(1,3-thiazol-2-yl)-1,3-thiazol-5-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole
CID 86009639
4-[10-[10-[2,5-bis(2-hexyldecyl)-3,6-dioxo-1-(3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)pyrrolo[3,4-c]pyrrol-4-yl]-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-2,5-bis(2-hexyldecyl)-1-(3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)pyrrolo[3,4-c]pyrrole-3,6-dione
CID 89426815
dimethyl-methylidene-(3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-λ5-phosphane
CID 157062836
4-tritio-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
CID 131860132
CID 58455822
CID 58455822
5-([1]benzothiolo[7,6-g][1]benzothiol-2-yl)-2-[5-([1]benzothiolo[7,6-g][1]benzothiol-2-yl)-2-pyridinyl]pyridine
CID 170275037
5,8,12,20,23,27-hexathianonacyclo[16.12.0.03,16.04,14.06,13.07,11.019,29.021,28.022,26]triaconta-1,3(16),4(14),6(13),7(11),9,17,19(29),21(28),22(26),24-undecaene
CID 137421927
5-(3-fluoro-4-methoxyphenyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole
CID 46908129

Frequently Asked Questions

What is the IUPAC name of 5-(3,7,10,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl)-2-[5-(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-thiazol-2-yl]-1,3-thiazole?
The IUPAC name of 5-(3,7,10,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl)-2-[5-(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-thiazol-2-yl]-1,3-thiazole (CID 170275089) is 5-(3,7,10,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl)-2-[5-(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-thiazol-2-yl]-1,3-thiazole.
What is the SMILES notation for 5-(3,7,10,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl)-2-[5-(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-thiazol-2-yl]-1,3-thiazole?
The canonical SMILES for 5-(3,7,10,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl)-2-[5-(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-thiazol-2-yl]-1,3-thiazole is c1cc2sc3c4sc(-c5cnc(-c6ncc(-c7cc8sc9c%10sccc%10sc9c8s7)s6)s5)cc4sc3c2s1.
What is the InChIKey of 5-(3,7,10,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl)-2-[5-(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-thiazol-2-yl]-1,3-thiazole?
The InChIKey is XLJGMPCNXIEGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H8N2S10/c1-3-29-17-9(1)31-23-19-13(35-21(17)23)5-11(33-19)15-7-27-25(37-15)26-28-8-16(38-26)12-6-14-20(34-12)24-22(36-14)18-10(32-24)2-4-30-18/h1-8H.
What are the key properties of 5-(3,7,10,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl)-2-[5-(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-thiazol-2-yl]-1,3-thiazole?
5-(3,7,10,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl)-2-[5-(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-thiazol-2-yl]-1,3-thiazole has a molecular weight of 669.03 g/mol, XLogP of 13.01, 3 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,7,10,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl)-2-[5-(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-thiazol-2-yl]-1,3-thiazole is sourced from PubChem (CID 170275089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).