14-amino-13-(1,3-benzothiazol-2-yl)-8-thia-1,10,12,13-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,9,11,14-hexaen-16-one

C18H10N6OS2 — CID 11058239

IUPAC14-amino-13-(1,3-benzothiazol-2-yl)-8-thia-1,10,12,13-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,9,11,14-hexaen-16-one
SMILESNc1c2c(=O)n3c(nc2nn1-c1nc2ccccc2s1)sc1ccccc13
InChIInChI=1S/C18H10N6OS2/c19-14-13-15(22-24(14)18-20-9-5-1-3-7-11(9)26-18)21-17-23(16(13)25)10-6-2-4-8-12(10)27-17/h1-8H,19H2
InChIKeyWYFYGLBMYUGBPP-UHFFFAOYSA-N
MW390.45 g/mol
LogP3.44
Rot. Bonds1

About 14-amino-13-(1,3-benzothiazol-2-yl)-8-thia-1,10,12,13-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,9,11,14-hexaen-16-one

14-amino-13-(1,3-benzothiazol-2-yl)-8-thia-1,10,12,13-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,9,11,14-hexaen-16-one (PubChem CID 11058239) has the molecular formula C18H10N6OS2 and a molecular weight of 390.45 g/mol. Its IUPAC name is 14-amino-13-(1,3-benzothiazol-2-yl)-8-thia-1,10,12,13-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,9,11,14-hexaen-16-one.

Molecular Properties

Compound Name14-amino-13-(1,3-benzothiazol-2-yl)-8-thia-1,10,12,13-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,9,11,14-hexaen-16-one
PubChem CID11058239
Molecular FormulaC18H10N6OS2
Molecular Weight390.45 g/mol
Exact Mass390.04
IUPAC Name14-amino-13-(1,3-benzothiazol-2-yl)-8-thia-1,10,12,13-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,9,11,14-hexaen-16-one
SMILESNc1c2c(=O)n3c(nc2nn1-c1nc2ccccc2s1)sc1ccccc13
InChIInChI=1S/C18H10N6OS2/c19-14-13-15(22-24(14)18-20-9-5-1-3-7-11(9)26-18)21-17-23(16(13)25)10-6-2-4-8-12(10)27-17/h1-8H,19H2
InChIKeyWYFYGLBMYUGBPP-UHFFFAOYSA-N
XLogP3.44
TPSA91.10 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 14-amino-13-(1,3-benzothiazol-2-yl)-8-thia-1,10,12,13-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,9,11,14-hexaen-16-one with MolForge

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Related Compounds

13-(1,3-benzothiazol-2-yl)-14-bromo-8-thia-1,10,12,13-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,9,11,14-hexaen-16-one
CID 10884919
17-thia-2,7,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11,13,15-heptaen-9-one
CID 10060817
1-(1,3-benzothiazol-2-yl)-1,2,4-triazole-3,5-diamine
CID 58976966
1-carbazol-9-yl-[1,3]benzothiazolo[2,3-b]quinazolin-12-one
CID 170777378
2-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydroindazol-3-amine
CID 65353442
2-(1,3-benzothiazol-2-yl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine
CID 45496469
2-chloro-[1,3]benzothiazolo[2,3-b]quinazolin-12-one
CID 15134484
5-amino-1-(1,3-benzothiazol-2-yl)-3-(propan-2-ylamino)pyrazole-4-carbonitrile
CID 102796706
5-amino-1-(1,3-benzothiazol-2-yl)-3-[ethyl(methyl)amino]pyrazole-4-carbonitrile
CID 102796709
1-(1,3-benzothiazol-2-yl)pyrazol-3-amine
CID 57073470
(15S,19S)-17-(1,3-benzothiazol-2-yl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 1115425
2-methyl-1-phenylimidazo[2,1-b][1,3]benzothiazole
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Frequently Asked Questions

What is the IUPAC name of 14-amino-13-(1,3-benzothiazol-2-yl)-8-thia-1,10,12,13-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,9,11,14-hexaen-16-one?
The IUPAC name of 14-amino-13-(1,3-benzothiazol-2-yl)-8-thia-1,10,12,13-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,9,11,14-hexaen-16-one (CID 11058239) is 14-amino-13-(1,3-benzothiazol-2-yl)-8-thia-1,10,12,13-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,9,11,14-hexaen-16-one.
What is the SMILES notation for 14-amino-13-(1,3-benzothiazol-2-yl)-8-thia-1,10,12,13-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,9,11,14-hexaen-16-one?
The canonical SMILES for 14-amino-13-(1,3-benzothiazol-2-yl)-8-thia-1,10,12,13-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,9,11,14-hexaen-16-one is Nc1c2c(=O)n3c(nc2nn1-c1nc2ccccc2s1)sc1ccccc13.
What is the InChIKey of 14-amino-13-(1,3-benzothiazol-2-yl)-8-thia-1,10,12,13-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,9,11,14-hexaen-16-one?
The InChIKey is WYFYGLBMYUGBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10N6OS2/c19-14-13-15(22-24(14)18-20-9-5-1-3-7-11(9)26-18)21-17-23(16(13)25)10-6-2-4-8-12(10)27-17/h1-8H,19H2.
What are the key properties of 14-amino-13-(1,3-benzothiazol-2-yl)-8-thia-1,10,12,13-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,9,11,14-hexaen-16-one?
14-amino-13-(1,3-benzothiazol-2-yl)-8-thia-1,10,12,13-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,9,11,14-hexaen-16-one has a molecular weight of 390.45 g/mol, XLogP of 3.44, 1 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 14-amino-13-(1,3-benzothiazol-2-yl)-8-thia-1,10,12,13-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,9,11,14-hexaen-16-one is sourced from PubChem (CID 11058239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).