5-(2,4-dichlorophenyl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-4,6-dione

C15H7Cl2N3O2S — CID 11473961

IUPAC5-(2,4-dichlorophenyl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-4,6-dione
SMILESO=c1[nH]c2c(sc3ncccc32)c(=O)n1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H7Cl2N3O2S/c16-7-3-4-10(9(17)6-7)20-14(21)12-11(19-15(20)22)8-2-1-5-18-13(8)23-12/h1-6H,(H,19,22)
InChIKeyXLKMQBXSLZLNEU-UHFFFAOYSA-N
MW364.21 g/mol
LogP3.60
Rot. Bonds1

About 5-(2,4-dichlorophenyl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-4,6-dione

5-(2,4-dichlorophenyl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-4,6-dione (PubChem CID 11473961) has the molecular formula C15H7Cl2N3O2S and a molecular weight of 364.21 g/mol. Its IUPAC name is 5-(2,4-dichlorophenyl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-4,6-dione.

Molecular Properties

Compound Name5-(2,4-dichlorophenyl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-4,6-dione
PubChem CID11473961
Molecular FormulaC15H7Cl2N3O2S
Molecular Weight364.21 g/mol
Exact Mass362.96
IUPAC Name5-(2,4-dichlorophenyl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-4,6-dione
SMILESO=c1[nH]c2c(sc3ncccc32)c(=O)n1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H7Cl2N3O2S/c16-7-3-4-10(9(17)6-7)20-14(21)12-11(19-15(20)22)8-2-1-5-18-13(8)23-12/h1-6H,(H,19,22)
InChIKeyXLKMQBXSLZLNEU-UHFFFAOYSA-N
XLogP3.60
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.21
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(2,4-dichlorophenyl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-4,6-dione with MolForge

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Related Compounds

5-ethyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-4,6-dione
CID 11230382
5-[[(2R)-oxolan-2-yl]methyl]-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-4,6-dione
CID 95186479
8-chloro-3-(2-chlorophenyl)-1H-quinazoline-2,4-dione
CID 117261960
3-(2,4-dichlorophenyl)-2-methylpyrido[2,3-d]pyrimidin-8-ium-4-one chloride
CID 136711467
5-benzyl-4-[(3-chlorophenyl)methylsulfanyl]-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-6-one
CID 50770144
1-(2,4-dichlorophenyl)-4-methoxy-N,N-dimethyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 102035452
7-chloro-1-(2-methyl-3-pyridinyl)quinazoline-2,4-dione
CID 170271414
2-(3-chlorophenyl)-[1,2]thiazolo[5,4-b]pyridin-3-one
CID 10400502
12-chloro-5-(2,4-dichlorophenyl)-11,13-dimethyl-8-thia-3,4,5,10-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
CID 4650817
5-[[(2R)-oxolan-2-yl]methyl]-4-sulfanylidene-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-6-one
CID 98188077
3-amino-2-(2,4-dichlorophenyl)isoquinolin-1-one
CID 43341028
1-(4-chlorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 12760281

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichlorophenyl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-4,6-dione?
The IUPAC name of 5-(2,4-dichlorophenyl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-4,6-dione (CID 11473961) is 5-(2,4-dichlorophenyl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-4,6-dione.
What is the SMILES notation for 5-(2,4-dichlorophenyl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-4,6-dione?
The canonical SMILES for 5-(2,4-dichlorophenyl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-4,6-dione is O=c1[nH]c2c(sc3ncccc32)c(=O)n1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 5-(2,4-dichlorophenyl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-4,6-dione?
The InChIKey is XLKMQBXSLZLNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7Cl2N3O2S/c16-7-3-4-10(9(17)6-7)20-14(21)12-11(19-15(20)22)8-2-1-5-18-13(8)23-12/h1-6H,(H,19,22).
What are the key properties of 5-(2,4-dichlorophenyl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-4,6-dione?
5-(2,4-dichlorophenyl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-4,6-dione has a molecular weight of 364.21 g/mol, XLogP of 3.60, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dichlorophenyl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-4,6-dione is sourced from PubChem (CID 11473961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).