6,13-bis(5-methyl-1,3-thiazol-2-yl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone

C22H12N4O4S2 — CID 146184012

IUPAC6,13-bis(5-methyl-1,3-thiazol-2-yl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
SMILESCc1cnc(N2C(=O)c3ccc4c5c(ccc(c35)C2=O)C(=O)N(c2ncc(C)s2)C4=O)s1
InChIInChI=1S/C22H12N4O4S2/c1-9-7-23-21(31-9)25-17(27)11-3-5-13-16-14(6-4-12(15(11)16)18(25)28)20(30)26(19(13)29)22-24-8-10(2)32-22/h3-8H,1-2H3
InChIKeyRJRRLZRNVXBROO-UHFFFAOYSA-N
MW460.50 g/mol
LogP3.97
Rot. Bonds2

About 6,13-bis(5-methyl-1,3-thiazol-2-yl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone

6,13-bis(5-methyl-1,3-thiazol-2-yl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone (PubChem CID 146184012) has the molecular formula C22H12N4O4S2 and a molecular weight of 460.50 g/mol. Its IUPAC name is 6,13-bis(5-methyl-1,3-thiazol-2-yl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone.

Molecular Properties

Compound Name6,13-bis(5-methyl-1,3-thiazol-2-yl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
PubChem CID146184012
Molecular FormulaC22H12N4O4S2
Molecular Weight460.50 g/mol
Exact Mass460.03
IUPAC Name6,13-bis(5-methyl-1,3-thiazol-2-yl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
SMILESCc1cnc(N2C(=O)c3ccc4c5c(ccc(c35)C2=O)C(=O)N(c2ncc(C)s2)C4=O)s1
InChIInChI=1S/C22H12N4O4S2/c1-9-7-23-21(31-9)25-17(27)11-3-5-13-16-14(6-4-12(15(11)16)18(25)28)20(30)26(19(13)29)22-24-8-10(2)32-22/h3-8H,1-2H3
InChIKeyRJRRLZRNVXBROO-UHFFFAOYSA-N
XLogP3.97
TPSA100.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.50
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 6,13-bis(5-methyl-1,3-thiazol-2-yl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6,13-bis(5-methyl-1,3-thiazol-2-yl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone?
The IUPAC name of 6,13-bis(5-methyl-1,3-thiazol-2-yl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone (CID 146184012) is 6,13-bis(5-methyl-1,3-thiazol-2-yl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone.
What is the SMILES notation for 6,13-bis(5-methyl-1,3-thiazol-2-yl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone?
The canonical SMILES for 6,13-bis(5-methyl-1,3-thiazol-2-yl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone is Cc1cnc(N2C(=O)c3ccc4c5c(ccc(c35)C2=O)C(=O)N(c2ncc(C)s2)C4=O)s1.
What is the InChIKey of 6,13-bis(5-methyl-1,3-thiazol-2-yl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone?
The InChIKey is RJRRLZRNVXBROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12N4O4S2/c1-9-7-23-21(31-9)25-17(27)11-3-5-13-16-14(6-4-12(15(11)16)18(25)28)20(30)26(19(13)29)22-24-8-10(2)32-22/h3-8H,1-2H3.
What are the key properties of 6,13-bis(5-methyl-1,3-thiazol-2-yl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone?
6,13-bis(5-methyl-1,3-thiazol-2-yl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone has a molecular weight of 460.50 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6,13-bis(5-methyl-1,3-thiazol-2-yl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone is sourced from PubChem (CID 146184012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).