15-(2-methylphenyl)-13-(4-methyl-1,3-thiazol-2-yl)-4,11-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,13-pentaen-12-one

C24H21N3OS — CID 11825514

IUPAC15-(2-methylphenyl)-13-(4-methyl-1,3-thiazol-2-yl)-4,11-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,13-pentaen-12-one
SMILESCc1csc(-c2cc(-c3ccccc3C)c3n(c2=O)CCCc2ccncc2-3)n1
InChIInChI=1S/C24H21N3OS/c1-15-6-3-4-8-18(15)19-12-20(23-26-16(2)14-29-23)24(28)27-11-5-7-17-9-10-25-13-21(17)22(19)27/h3-4,6,8-10,12-14H,5,7,11H2,1-2H3
InChIKeyJAOIJSLHKQEWQB-UHFFFAOYSA-N
MW399.52 g/mol
LogP5.26
Rot. Bonds2

About 15-(2-methylphenyl)-13-(4-methyl-1,3-thiazol-2-yl)-4,11-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,13-pentaen-12-one

15-(2-methylphenyl)-13-(4-methyl-1,3-thiazol-2-yl)-4,11-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,13-pentaen-12-one (PubChem CID 11825514) has the molecular formula C24H21N3OS and a molecular weight of 399.52 g/mol. Its IUPAC name is 15-(2-methylphenyl)-13-(4-methyl-1,3-thiazol-2-yl)-4,11-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,13-pentaen-12-one.

Molecular Properties

Compound Name15-(2-methylphenyl)-13-(4-methyl-1,3-thiazol-2-yl)-4,11-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,13-pentaen-12-one
PubChem CID11825514
Molecular FormulaC24H21N3OS
Molecular Weight399.52 g/mol
Exact Mass399.14
IUPAC Name15-(2-methylphenyl)-13-(4-methyl-1,3-thiazol-2-yl)-4,11-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,13-pentaen-12-one
SMILESCc1csc(-c2cc(-c3ccccc3C)c3n(c2=O)CCCc2ccncc2-3)n1
InChIInChI=1S/C24H21N3OS/c1-15-6-3-4-8-18(15)19-12-20(23-26-16(2)14-29-23)24(28)27-11-5-7-17-9-10-25-13-21(17)22(19)27/h3-4,6,8-10,12-14H,5,7,11H2,1-2H3
InChIKeyJAOIJSLHKQEWQB-UHFFFAOYSA-N
XLogP5.26
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.52
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 15-(2-methylphenyl)-13-(4-methyl-1,3-thiazol-2-yl)-4,11-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,13-pentaen-12-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 15-(2-methylphenyl)-13-(4-methyl-1,3-thiazol-2-yl)-4,11-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,13-pentaen-12-one?
The IUPAC name of 15-(2-methylphenyl)-13-(4-methyl-1,3-thiazol-2-yl)-4,11-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,13-pentaen-12-one (CID 11825514) is 15-(2-methylphenyl)-13-(4-methyl-1,3-thiazol-2-yl)-4,11-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,13-pentaen-12-one.
What is the SMILES notation for 15-(2-methylphenyl)-13-(4-methyl-1,3-thiazol-2-yl)-4,11-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,13-pentaen-12-one?
The canonical SMILES for 15-(2-methylphenyl)-13-(4-methyl-1,3-thiazol-2-yl)-4,11-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,13-pentaen-12-one is Cc1csc(-c2cc(-c3ccccc3C)c3n(c2=O)CCCc2ccncc2-3)n1.
What is the InChIKey of 15-(2-methylphenyl)-13-(4-methyl-1,3-thiazol-2-yl)-4,11-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,13-pentaen-12-one?
The InChIKey is JAOIJSLHKQEWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3OS/c1-15-6-3-4-8-18(15)19-12-20(23-26-16(2)14-29-23)24(28)27-11-5-7-17-9-10-25-13-21(17)22(19)27/h3-4,6,8-10,12-14H,5,7,11H2,1-2H3.
What are the key properties of 15-(2-methylphenyl)-13-(4-methyl-1,3-thiazol-2-yl)-4,11-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,13-pentaen-12-one?
15-(2-methylphenyl)-13-(4-methyl-1,3-thiazol-2-yl)-4,11-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,13-pentaen-12-one has a molecular weight of 399.52 g/mol, XLogP of 5.26, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(2-methylphenyl)-13-(4-methyl-1,3-thiazol-2-yl)-4,11-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,13-pentaen-12-one is sourced from PubChem (CID 11825514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).