5-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methylidene]-1,3-thiazolidine-2,4-dione

C14H13NO3S — CID 75137248

IUPAC5-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESCOc1cc2c(cc1C=C1SC(=O)NC1=O)CCC2
InChIInChI=1S/C14H13NO3S/c1-18-11-6-9-4-2-3-8(9)5-10(11)7-12-13(16)15-14(17)19-12/h5-7H,2-4H2,1H3,(H,15,16,17)
InChIKeyPNLNTQDMMQNDKD-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.51
Rot. Bonds2

About 5-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methylidene]-1,3-thiazolidine-2,4-dione

5-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 75137248) has the molecular formula C14H13NO3S and a molecular weight of 275.33 g/mol. Its IUPAC name is 5-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID75137248
Molecular FormulaC14H13NO3S
Molecular Weight275.33 g/mol
Exact Mass275.06
IUPAC Name5-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESCOc1cc2c(cc1C=C1SC(=O)NC1=O)CCC2
InChIInChI=1S/C14H13NO3S/c1-18-11-6-9-4-2-3-8(9)5-10(11)7-12-13(16)15-14(17)19-12/h5-7H,2-4H2,1H3,(H,15,16,17)
InChIKeyPNLNTQDMMQNDKD-UHFFFAOYSA-N
XLogP2.51
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 3100428
5-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 2844355
5-[(2-bromo-5-hydroxy-4-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 78648250
5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 158844505
5-[(4-methoxy-3-methylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 54114505
5-[(3-hydroxy-4-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 3096053
(5Z)-5-[(4,5-dimethoxy-2-pyridin-4-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 58423183
(5E)-5-[(2-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 124664112
(5Z)-5-[(2-bromo-5-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 134141271
5-[(3-methoxy-2-piperazin-1-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 76782287
(5E)-5-[(2,5-dimethylfuran-3-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 21374241
5-[[5-chloro-2-[2-(4-methoxyphenoxy)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 2895966

Frequently Asked Questions

What is the IUPAC name of 5-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methylidene]-1,3-thiazolidine-2,4-dione (CID 75137248) is 5-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methylidene]-1,3-thiazolidine-2,4-dione is COc1cc2c(cc1C=C1SC(=O)NC1=O)CCC2.
What is the InChIKey of 5-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is PNLNTQDMMQNDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3S/c1-18-11-6-9-4-2-3-8(9)5-10(11)7-12-13(16)15-14(17)19-12/h5-7H,2-4H2,1H3,(H,15,16,17).
What are the key properties of 5-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methylidene]-1,3-thiazolidine-2,4-dione?
5-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 275.33 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 75137248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).