4-(3-methylphenyl)-1,4-dihydroindeno[1,2-d][1,3]thiazine-2,5-dione

C18H13NO2S — CID 3148622

IUPAC4-(3-methylphenyl)-1,4-dihydroindeno[1,2-d][1,3]thiazine-2,5-dione
SMILESCc1cccc(C2SC(=O)NC3=C2C(=O)c2ccccc23)c1
InChIInChI=1S/C18H13NO2S/c1-10-5-4-6-11(9-10)17-14-15(19-18(21)22-17)12-7-2-3-8-13(12)16(14)20/h2-9,17H,1H3,(H,19,21)
InChIKeyXXPQKQKWLMDTGG-UHFFFAOYSA-N
MW307.37 g/mol
LogP4.10
Rot. Bonds1

About 4-(3-methylphenyl)-1,4-dihydroindeno[1,2-d][1,3]thiazine-2,5-dione

4-(3-methylphenyl)-1,4-dihydroindeno[1,2-d][1,3]thiazine-2,5-dione (PubChem CID 3148622) has the molecular formula C18H13NO2S and a molecular weight of 307.37 g/mol. Its IUPAC name is 4-(3-methylphenyl)-1,4-dihydroindeno[1,2-d][1,3]thiazine-2,5-dione.

Molecular Properties

Compound Name4-(3-methylphenyl)-1,4-dihydroindeno[1,2-d][1,3]thiazine-2,5-dione
PubChem CID3148622
Molecular FormulaC18H13NO2S
Molecular Weight307.37 g/mol
Exact Mass307.07
IUPAC Name4-(3-methylphenyl)-1,4-dihydroindeno[1,2-d][1,3]thiazine-2,5-dione
SMILESCc1cccc(C2SC(=O)NC3=C2C(=O)c2ccccc23)c1
InChIInChI=1S/C18H13NO2S/c1-10-5-4-6-11(9-10)17-14-15(19-18(21)22-17)12-7-2-3-8-13(12)16(14)20/h2-9,17H,1H3,(H,19,21)
InChIKeyXXPQKQKWLMDTGG-UHFFFAOYSA-N
XLogP4.10
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylphenyl)-1,4-dihydroindeno[1,2-d][1,3]thiazine-2,5-dione?
The IUPAC name of 4-(3-methylphenyl)-1,4-dihydroindeno[1,2-d][1,3]thiazine-2,5-dione (CID 3148622) is 4-(3-methylphenyl)-1,4-dihydroindeno[1,2-d][1,3]thiazine-2,5-dione.
What is the SMILES notation for 4-(3-methylphenyl)-1,4-dihydroindeno[1,2-d][1,3]thiazine-2,5-dione?
The canonical SMILES for 4-(3-methylphenyl)-1,4-dihydroindeno[1,2-d][1,3]thiazine-2,5-dione is Cc1cccc(C2SC(=O)NC3=C2C(=O)c2ccccc23)c1.
What is the InChIKey of 4-(3-methylphenyl)-1,4-dihydroindeno[1,2-d][1,3]thiazine-2,5-dione?
The InChIKey is XXPQKQKWLMDTGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO2S/c1-10-5-4-6-11(9-10)17-14-15(19-18(21)22-17)12-7-2-3-8-13(12)16(14)20/h2-9,17H,1H3,(H,19,21).
What are the key properties of 4-(3-methylphenyl)-1,4-dihydroindeno[1,2-d][1,3]thiazine-2,5-dione?
4-(3-methylphenyl)-1,4-dihydroindeno[1,2-d][1,3]thiazine-2,5-dione has a molecular weight of 307.37 g/mol, XLogP of 4.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylphenyl)-1,4-dihydroindeno[1,2-d][1,3]thiazine-2,5-dione is sourced from PubChem (CID 3148622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).