(5Z)-5-benzylidene-8-phenyl-4-thia-2,7-diazatricyclo[7.5.0.03,7]tetradeca-1(9),2-dien-6-one

C24H22N2OS — CID 12865776

IUPAC(5Z)-5-benzylidene-8-phenyl-4-thia-2,7-diazatricyclo[7.5.0.03,7]tetradeca-1(9),2-dien-6-one
SMILESO=c1/c(=C/c2ccccc2)sc2n1C(c1ccccc1)C1=C(CCCCC1)N=2
InChIInChI=1S/C24H22N2OS/c27-23-21(16-17-10-4-1-5-11-17)28-24-25-20-15-9-3-8-14-19(20)22(26(23)24)18-12-6-2-7-13-18/h1-2,4-7,10-13,16,22H,3,8-9,14-15H2/b21-16-
InChIKeyXLZLRPLUBBUSOY-PGMHBOJBSA-N
MW386.52 g/mol
LogP4.18
Rot. Bonds2

About (5Z)-5-benzylidene-8-phenyl-4-thia-2,7-diazatricyclo[7.5.0.03,7]tetradeca-1(9),2-dien-6-one

(5Z)-5-benzylidene-8-phenyl-4-thia-2,7-diazatricyclo[7.5.0.03,7]tetradeca-1(9),2-dien-6-one (PubChem CID 12865776) has the molecular formula C24H22N2OS and a molecular weight of 386.52 g/mol. Its IUPAC name is (5Z)-5-benzylidene-8-phenyl-4-thia-2,7-diazatricyclo[7.5.0.03,7]tetradeca-1(9),2-dien-6-one.

Molecular Properties

Compound Name(5Z)-5-benzylidene-8-phenyl-4-thia-2,7-diazatricyclo[7.5.0.03,7]tetradeca-1(9),2-dien-6-one
PubChem CID12865776
Molecular FormulaC24H22N2OS
Molecular Weight386.52 g/mol
Exact Mass386.15
IUPAC Name(5Z)-5-benzylidene-8-phenyl-4-thia-2,7-diazatricyclo[7.5.0.03,7]tetradeca-1(9),2-dien-6-one
SMILESO=c1/c(=C/c2ccccc2)sc2n1C(c1ccccc1)C1=C(CCCCC1)N=2
InChIInChI=1S/C24H22N2OS/c27-23-21(16-17-10-4-1-5-11-17)28-24-25-20-15-9-3-8-14-19(20)22(26(23)24)18-12-6-2-7-13-18/h1-2,4-7,10-13,16,22H,3,8-9,14-15H2/b21-16-
InChIKeyXLZLRPLUBBUSOY-PGMHBOJBSA-N
XLogP4.18
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5Z)-5-benzylidene-8-phenyl-4-thia-2,7-diazatricyclo[7.5.0.03,7]tetradeca-1(9),2-dien-6-one 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

(2E)-2-[(4-chlorophenyl)methylidene]-5-phenyl-5,7,8,9-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline-3,6-dione
CID 6384196
(2E,9Z)-2-benzylidene-5-(4-chlorophenyl)-9-[(4-chlorophenyl)methylidene]-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazolin-3-one
CID 75408833
(2E,5S)-2-[(4-nitrophenyl)methylidene]-5-phenyl-5,7,8,9-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline-3,6-dione
CID 6341900
(5Z,13E)-11-benzyl-5,13-dibenzylidene-8-phenyl-4-thia-2,7,11-triazatricyclo[7.4.0.03,7]trideca-1(9),2-dien-6-one
CID 101388958
(11S,14Z)-14-[(4-methylphenyl)methylidene]-11-phenyl-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one
CID 124631004
14-[(4-hydroxyphenyl)methylidene]-11-phenyl-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one
CID 3480132
(2Z,5S,6R)-5-(4-chlorophenyl)-2-[(4-chlorophenyl)methylidene]-6-methyl-6,7,8,9-tetrahydro-5H-[1,3]thiazolo[2,3-b]quinazolin-3-one
CID 93476726
(5Z,14Z)-8-(4-methoxyphenyl)-5,14-bis[(4-methoxyphenyl)methylidene]-4-thia-2,7-diazatricyclo[7.5.0.03,7]tetradeca-1(9),2-dien-6-one
CID 177482430
5-phenyl-2-(quinolin-6-ylmethylidene)-5,7,8,9-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline-3,6-dione
CID 23804675
(11S)-14-[(4-methylsulfanylphenyl)methylidene]-11-phenyl-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one
CID 129441793
5-(4-chlorophenyl)-2-[(3-chlorophenyl)methylidene]-5,7,8,9-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline-3,6-dione
CID 23931498
(2E,5R,9E)-9-benzylidene-2-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-5-phenyl-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazolin-3-one
CID 9497805

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-benzylidene-8-phenyl-4-thia-2,7-diazatricyclo[7.5.0.03,7]tetradeca-1(9),2-dien-6-one?
The IUPAC name of (5Z)-5-benzylidene-8-phenyl-4-thia-2,7-diazatricyclo[7.5.0.03,7]tetradeca-1(9),2-dien-6-one (CID 12865776) is (5Z)-5-benzylidene-8-phenyl-4-thia-2,7-diazatricyclo[7.5.0.03,7]tetradeca-1(9),2-dien-6-one.
What is the SMILES notation for (5Z)-5-benzylidene-8-phenyl-4-thia-2,7-diazatricyclo[7.5.0.03,7]tetradeca-1(9),2-dien-6-one?
The canonical SMILES for (5Z)-5-benzylidene-8-phenyl-4-thia-2,7-diazatricyclo[7.5.0.03,7]tetradeca-1(9),2-dien-6-one is O=c1/c(=C/c2ccccc2)sc2n1C(c1ccccc1)C1=C(CCCCC1)N=2.
What is the InChIKey of (5Z)-5-benzylidene-8-phenyl-4-thia-2,7-diazatricyclo[7.5.0.03,7]tetradeca-1(9),2-dien-6-one?
The InChIKey is XLZLRPLUBBUSOY-PGMHBOJBSA-N. The full InChI is InChI=1S/C24H22N2OS/c27-23-21(16-17-10-4-1-5-11-17)28-24-25-20-15-9-3-8-14-19(20)22(26(23)24)18-12-6-2-7-13-18/h1-2,4-7,10-13,16,22H,3,8-9,14-15H2/b21-16-.
What are the key properties of (5Z)-5-benzylidene-8-phenyl-4-thia-2,7-diazatricyclo[7.5.0.03,7]tetradeca-1(9),2-dien-6-one?
(5Z)-5-benzylidene-8-phenyl-4-thia-2,7-diazatricyclo[7.5.0.03,7]tetradeca-1(9),2-dien-6-one has a molecular weight of 386.52 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-benzylidene-8-phenyl-4-thia-2,7-diazatricyclo[7.5.0.03,7]tetradeca-1(9),2-dien-6-one is sourced from PubChem (CID 12865776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).