4,10-bis(1,3-thiazol-2-yl)-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone

C18H12N4O4S2 — CID 2837510

IUPAC4,10-bis(1,3-thiazol-2-yl)-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone
SMILESO=C1C2C3C=CC(C2C(=O)N1c1nccs1)C1C(=O)N(c2nccs2)C(=O)C31
InChIInChI=1S/C18H12N4O4S2/c23-13-9-7-1-2-8(11(9)15(25)21(13)17-19-3-5-27-17)12-10(7)14(24)22(16(12)26)18-20-4-6-28-18/h1-12H
InChIKeyCMPOSIGUSGELIZ-UHFFFAOYSA-N
MW412.45 g/mol
LogP1.33
Rot. Bonds2

About 4,10-bis(1,3-thiazol-2-yl)-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone

4,10-bis(1,3-thiazol-2-yl)-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone (PubChem CID 2837510) has the molecular formula C18H12N4O4S2 and a molecular weight of 412.45 g/mol. Its IUPAC name is 4,10-bis(1,3-thiazol-2-yl)-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone.

Molecular Properties

Compound Name4,10-bis(1,3-thiazol-2-yl)-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone
PubChem CID2837510
Molecular FormulaC18H12N4O4S2
Molecular Weight412.45 g/mol
Exact Mass412.03
IUPAC Name4,10-bis(1,3-thiazol-2-yl)-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone
SMILESO=C1C2C3C=CC(C2C(=O)N1c1nccs1)C1C(=O)N(c2nccs2)C(=O)C31
InChIInChI=1S/C18H12N4O4S2/c23-13-9-7-1-2-8(11(9)15(25)21(13)17-19-3-5-27-17)12-10(7)14(24)22(16(12)26)18-20-4-6-28-18/h1-12H
InChIKeyCMPOSIGUSGELIZ-UHFFFAOYSA-N
XLogP1.33
TPSA100.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4,10-bis(1,3-thiazol-2-yl)-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,2R,6R,7R)-4-(1,3-thiazol-2-yl)-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
CID 98562757
(1R,8R,9S,14S,15R,19R)-17-(1,3-thiazol-2-yl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,10,12-pentaene-16,18-dione
CID 98123261
(3aR,4S,7S,7aR)-2-(1,3-thiazol-2-yl)-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
CID 98116197
(1S,2R,6R,7R)-10-propan-2-ylidene-4-(1,3-thiazol-2-yl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 11902648
5-amino-2-(1,3-thiazol-2-yl)isoindole-1,3-dione
CID 28773206
(1S,2R,6R,7S,8R,12S)-3,5-diphenyl-10-(1,3-thiazol-2-yl)-13-oxa-3,4,10-triazatetracyclo[5.5.1.02,6.08,12]tridec-4-ene-9,11-dione
CID 54752666
1-(1,3-thiazol-2-yl)-3H-indol-2-one
CID 14819388
1-methyl-3-(1,3-thiazol-2-yl)imidazolidin-2-one
CID 69187267
(1R,2S,6S,7S,8S,10S)-4-(5-methyl-1,3,4-thiadiazol-2-yl)-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene-3,5-dione
CID 98206296
4-(bromomethyl)-1-(1,3-thiazol-2-yl)pyrrolidin-2-one
CID 168506383
6-(methylamino)-4-(1,3-thiazol-2-yl)-1,4-oxazepan-5-one
CID 20590208
2-(1,3-thiazol-2-yl)-1H-1,2,4-triazol-5-one
CID 82880731

Frequently Asked Questions

What is the IUPAC name of 4,10-bis(1,3-thiazol-2-yl)-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone?
The IUPAC name of 4,10-bis(1,3-thiazol-2-yl)-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone (CID 2837510) is 4,10-bis(1,3-thiazol-2-yl)-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone.
What is the SMILES notation for 4,10-bis(1,3-thiazol-2-yl)-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone?
The canonical SMILES for 4,10-bis(1,3-thiazol-2-yl)-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone is O=C1C2C3C=CC(C2C(=O)N1c1nccs1)C1C(=O)N(c2nccs2)C(=O)C31.
What is the InChIKey of 4,10-bis(1,3-thiazol-2-yl)-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone?
The InChIKey is CMPOSIGUSGELIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N4O4S2/c23-13-9-7-1-2-8(11(9)15(25)21(13)17-19-3-5-27-17)12-10(7)14(24)22(16(12)26)18-20-4-6-28-18/h1-12H.
What are the key properties of 4,10-bis(1,3-thiazol-2-yl)-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone?
4,10-bis(1,3-thiazol-2-yl)-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone has a molecular weight of 412.45 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4,10-bis(1,3-thiazol-2-yl)-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone is sourced from PubChem (CID 2837510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).