(5Z)-3-[(3-chlorophenyl)methyl]-5-(9H-fluoren-2-ylmethylidene)-1,3-thiazolidine-2,4-dione

C24H16ClNO2S — CID 46907069

IUPAC(5Z)-3-[(3-chlorophenyl)methyl]-5-(9H-fluoren-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
SMILESO=C1S/C(=C\c2ccc3c(c2)Cc2ccccc2-3)C(=O)N1Cc1cccc(Cl)c1
InChIInChI=1S/C24H16ClNO2S/c25-19-6-3-4-16(11-19)14-26-23(27)22(29-24(26)28)12-15-8-9-21-18(10-15)13-17-5-1-2-7-20(17)21/h1-12H,13-14H2/b22-12-
InChIKeyQXNZJZBSMYUPJA-UUYOSTAYSA-N
MW417.92 g/mol
LogP6.15
Rot. Bonds3

About (5Z)-3-[(3-chlorophenyl)methyl]-5-(9H-fluoren-2-ylmethylidene)-1,3-thiazolidine-2,4-dione

(5Z)-3-[(3-chlorophenyl)methyl]-5-(9H-fluoren-2-ylmethylidene)-1,3-thiazolidine-2,4-dione (PubChem CID 46907069) has the molecular formula C24H16ClNO2S and a molecular weight of 417.92 g/mol. Its IUPAC name is (5Z)-3-[(3-chlorophenyl)methyl]-5-(9H-fluoren-2-ylmethylidene)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-3-[(3-chlorophenyl)methyl]-5-(9H-fluoren-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
PubChem CID46907069
Molecular FormulaC24H16ClNO2S
Molecular Weight417.92 g/mol
Exact Mass417.06
IUPAC Name(5Z)-3-[(3-chlorophenyl)methyl]-5-(9H-fluoren-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
SMILESO=C1S/C(=C\c2ccc3c(c2)Cc2ccccc2-3)C(=O)N1Cc1cccc(Cl)c1
InChIInChI=1S/C24H16ClNO2S/c25-19-6-3-4-16(11-19)14-26-23(27)22(29-24(26)28)12-15-8-9-21-18(10-15)13-17-5-1-2-7-20(17)21/h1-12H,13-14H2/b22-12-
InChIKeyQXNZJZBSMYUPJA-UUYOSTAYSA-N
XLogP6.15
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.92
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5Z)-3-[(3-chlorophenyl)methyl]-5-(9H-fluoren-2-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-3-[(3-chlorophenyl)methyl]-5-(9H-fluoren-2-ylmethylidene)-1,3-thiazolidine-2,4-dione (CID 46907069) is (5Z)-3-[(3-chlorophenyl)methyl]-5-(9H-fluoren-2-ylmethylidene)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-3-[(3-chlorophenyl)methyl]-5-(9H-fluoren-2-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-3-[(3-chlorophenyl)methyl]-5-(9H-fluoren-2-ylmethylidene)-1,3-thiazolidine-2,4-dione is O=C1S/C(=C\c2ccc3c(c2)Cc2ccccc2-3)C(=O)N1Cc1cccc(Cl)c1.
What is the InChIKey of (5Z)-3-[(3-chlorophenyl)methyl]-5-(9H-fluoren-2-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The InChIKey is QXNZJZBSMYUPJA-UUYOSTAYSA-N. The full InChI is InChI=1S/C24H16ClNO2S/c25-19-6-3-4-16(11-19)14-26-23(27)22(29-24(26)28)12-15-8-9-21-18(10-15)13-17-5-1-2-7-20(17)21/h1-12H,13-14H2/b22-12-.
What are the key properties of (5Z)-3-[(3-chlorophenyl)methyl]-5-(9H-fluoren-2-ylmethylidene)-1,3-thiazolidine-2,4-dione?
(5Z)-3-[(3-chlorophenyl)methyl]-5-(9H-fluoren-2-ylmethylidene)-1,3-thiazolidine-2,4-dione has a molecular weight of 417.92 g/mol, XLogP of 6.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-[(3-chlorophenyl)methyl]-5-(9H-fluoren-2-ylmethylidene)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 46907069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).