6-(benzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-10-methyl-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene

C24H14N4OS — CID 123512806

IUPAC6-(benzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-10-methyl-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
SMILESCc1ccnc2c1oc1c(-c3cccc4c3sc3nc5ccccc5n34)ccnc12
InChIInChI=1S/C24H14N4OS/c1-13-9-11-25-19-20-22(29-21(13)19)14(10-12-26-20)15-5-4-8-18-23(15)30-24-27-16-6-2-3-7-17(16)28(18)24/h2-12H,1H3
InChIKeyXVYYYAWEKRLACJ-UHFFFAOYSA-N
MW406.47 g/mol
LogP6.37
Rot. Bonds1

About 6-(benzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-10-methyl-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene

6-(benzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-10-methyl-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene (PubChem CID 123512806) has the molecular formula C24H14N4OS and a molecular weight of 406.47 g/mol. Its IUPAC name is 6-(benzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-10-methyl-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene.

Molecular Properties

Compound Name6-(benzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-10-methyl-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
PubChem CID123512806
Molecular FormulaC24H14N4OS
Molecular Weight406.47 g/mol
Exact Mass406.09
IUPAC Name6-(benzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-10-methyl-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
SMILESCc1ccnc2c1oc1c(-c3cccc4c3sc3nc5ccccc5n34)ccnc12
InChIInChI=1S/C24H14N4OS/c1-13-9-11-25-19-20-22(29-21(13)19)14(10-12-26-20)15-5-4-8-18-23(15)30-24-27-16-6-2-3-7-17(16)28(18)24/h2-12H,1H3
InChIKeyXVYYYAWEKRLACJ-UHFFFAOYSA-N
XLogP6.37
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.47
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-(benzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-10-methyl-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene with MolForge

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Related Compounds

2-[2-[1-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]-1,3-thiazol-4-yl]furo[3,2-b]pyridine
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3,6-Bis(1-benzofuran-2-yl)imidazo[2,1-b][1,3]thiazole
CID 155556116
6-(1-Benzofuran-2-yl)-3-phenylimidazo[2,1-b][1,3]thiazole
CID 155559798
6-(1-Benzofuran-2-yl)-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole
CID 155566442
4-[5-(3-Fluoropropyl)furan-2-yl]-10-methoxy-7-thia-2,5,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaene
CID 59283077
2-(1-Benzofuran-2-yl)imidazo[2,1-b][1,3]benzothiazole
CID 44607090
3-[5-(10-Methoxy-7-thia-2,5,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaen-4-yl)furan-2-yl]propyl 4-methylbenzenesulfonate
CID 59282938
3-[5-(10-Methoxy-7-thia-2,5,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaen-4-yl)furan-2-yl]propan-1-ol
CID 59282997
2-[3-(Cyclohexylmethyl)-5-phenylimidazol-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;6-(3-methyl-5-phenylimidazol-4-yl)furo[3,2-d]pyrimidin-4-amine
CID 69553713
2-(1-Benzofuran-2-yl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole
CID 83091886
6-(Benzimidazolo[1,2-a]benzimidazol-5-yl)-[1]benzofuro[2,3-c]pyridine
CID 90090607

Frequently Asked Questions

What is the IUPAC name of 6-(benzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-10-methyl-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene?
The IUPAC name of 6-(benzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-10-methyl-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene (CID 123512806) is 6-(benzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-10-methyl-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene.
What is the SMILES notation for 6-(benzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-10-methyl-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene?
The canonical SMILES for 6-(benzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-10-methyl-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene is Cc1ccnc2c1oc1c(-c3cccc4c3sc3nc5ccccc5n34)ccnc12.
What is the InChIKey of 6-(benzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-10-methyl-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene?
The InChIKey is XVYYYAWEKRLACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14N4OS/c1-13-9-11-25-19-20-22(29-21(13)19)14(10-12-26-20)15-5-4-8-18-23(15)30-24-27-16-6-2-3-7-17(16)28(18)24/h2-12H,1H3.
What are the key properties of 6-(benzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-10-methyl-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene?
6-(benzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-10-methyl-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene has a molecular weight of 406.47 g/mol, XLogP of 6.37, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-10-methyl-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene is sourced from PubChem (CID 123512806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).