14-hydroxy-6,13-bis[4-(4-methylphenyl)-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-trione

C34H22N4O4S2 — CID 146322577

IUPAC14-hydroxy-6,13-bis[4-(4-methylphenyl)-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-trione
SMILESCc1ccc(-c2csc(N3C(=O)c4ccc5c6c(ccc(c46)C3=O)C(O)N(c3nc(-c4ccc(C)cc4)cs3)C5=O)n2)cc1
InChIInChI=1S/C34H22N4O4S2/c1-17-3-7-19(8-4-17)25-15-43-33(35-25)37-29(39)21-11-13-23-28-24(14-12-22(27(21)28)30(37)40)32(42)38(31(23)41)34-36-26(16-44-34)20-9-5-18(2)6-10-20/h3-16,29,39H,1-2H3
InChIKeyYARZRIMJSOFZLT-UHFFFAOYSA-N
MW614.71 g/mol
LogP7.16
Rot. Bonds4

About 14-hydroxy-6,13-bis[4-(4-methylphenyl)-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-trione

14-hydroxy-6,13-bis[4-(4-methylphenyl)-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-trione (PubChem CID 146322577) has the molecular formula C34H22N4O4S2 and a molecular weight of 614.71 g/mol. Its IUPAC name is 14-hydroxy-6,13-bis[4-(4-methylphenyl)-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-trione.

Molecular Properties

Compound Name14-hydroxy-6,13-bis[4-(4-methylphenyl)-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-trione
PubChem CID146322577
Molecular FormulaC34H22N4O4S2
Molecular Weight614.71 g/mol
Exact Mass614.11
IUPAC Name14-hydroxy-6,13-bis[4-(4-methylphenyl)-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-trione
SMILESCc1ccc(-c2csc(N3C(=O)c4ccc5c6c(ccc(c46)C3=O)C(O)N(c3nc(-c4ccc(C)cc4)cs3)C5=O)n2)cc1
InChIInChI=1S/C34H22N4O4S2/c1-17-3-7-19(8-4-17)25-15-43-33(35-25)37-29(39)21-11-13-23-28-24(14-12-22(27(21)28)30(37)40)32(42)38(31(23)41)34-36-26(16-44-34)20-9-5-18(2)6-10-20/h3-16,29,39H,1-2H3
InChIKeyYARZRIMJSOFZLT-UHFFFAOYSA-N
XLogP7.16
TPSA103.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.71
LogP ≤ 57.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 14-hydroxy-6,13-bis[4-(4-methylphenyl)-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-trione 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

2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]isoindole-1,3-dione
CID 3520878
ethyl 2-[18-(5-ethoxycarbonyl-4-phenyl-1,3-thiazol-2-yl)-6-hydroxy-8,17,19-trioxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-7-yl]-4-phenyl-1,3-thiazole-5-carboxylate
CID 146322578
19-hydroxy-7,18-dipyridin-4-yl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17-trione
CID 166711571
2-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]isoindole-1,3-dione
CID 168518477
(2S)-3-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(2-hydroxyphenyl)-1,2-dihydroquinazolin-4-one
CID 139057679
2-[3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetic acid
CID 4546410
3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-methyl-1,3-oxazolidin-2-one
CID 25029709
4-(4-methylphenyl)-2-pyrazol-1-yl-1,3-thiazole
CID 14900464
2-chloro-N-[3-(4-methylphenyl)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-5-yl]acetamide
CID 4873520
17-[4-(4-methoxyphenyl)-1,3-thiazol-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 2837111
4-(bromomethyl)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrrolidin-2-one
CID 168504450
2-chloro-N-[1-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)pyrazol-5-yl]acetamide
CID 1489969

Frequently Asked Questions

What is the IUPAC name of 14-hydroxy-6,13-bis[4-(4-methylphenyl)-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-trione?
The IUPAC name of 14-hydroxy-6,13-bis[4-(4-methylphenyl)-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-trione (CID 146322577) is 14-hydroxy-6,13-bis[4-(4-methylphenyl)-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-trione.
What is the SMILES notation for 14-hydroxy-6,13-bis[4-(4-methylphenyl)-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-trione?
The canonical SMILES for 14-hydroxy-6,13-bis[4-(4-methylphenyl)-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-trione is Cc1ccc(-c2csc(N3C(=O)c4ccc5c6c(ccc(c46)C3=O)C(O)N(c3nc(-c4ccc(C)cc4)cs3)C5=O)n2)cc1.
What is the InChIKey of 14-hydroxy-6,13-bis[4-(4-methylphenyl)-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-trione?
The InChIKey is YARZRIMJSOFZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22N4O4S2/c1-17-3-7-19(8-4-17)25-15-43-33(35-25)37-29(39)21-11-13-23-28-24(14-12-22(27(21)28)30(37)40)32(42)38(31(23)41)34-36-26(16-44-34)20-9-5-18(2)6-10-20/h3-16,29,39H,1-2H3.
What are the key properties of 14-hydroxy-6,13-bis[4-(4-methylphenyl)-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-trione?
14-hydroxy-6,13-bis[4-(4-methylphenyl)-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-trione has a molecular weight of 614.71 g/mol, XLogP of 7.16, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 14-hydroxy-6,13-bis[4-(4-methylphenyl)-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-trione is sourced from PubChem (CID 146322577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).