(5Z)-5-benzylidene-3-(2-chlorophenyl)-1,3-thiazolidine-2,4-dione

C16H10ClNO2S — CID 126059113

IUPAC(5Z)-5-benzylidene-3-(2-chlorophenyl)-1,3-thiazolidine-2,4-dione
SMILESO=C1S/C(=C\c2ccccc2)C(=O)N1c1ccccc1Cl
InChIInChI=1S/C16H10ClNO2S/c17-12-8-4-5-9-13(12)18-15(19)14(21-16(18)20)10-11-6-2-1-3-7-11/h1-10H/b14-10-
InChIKeyHUKMDLCUHMFSFV-UVTDQMKNSA-N
MW315.78 g/mol
LogP4.58
Rot. Bonds2

About (5Z)-5-benzylidene-3-(2-chlorophenyl)-1,3-thiazolidine-2,4-dione

(5Z)-5-benzylidene-3-(2-chlorophenyl)-1,3-thiazolidine-2,4-dione (PubChem CID 126059113) has the molecular formula C16H10ClNO2S and a molecular weight of 315.78 g/mol. Its IUPAC name is (5Z)-5-benzylidene-3-(2-chlorophenyl)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-benzylidene-3-(2-chlorophenyl)-1,3-thiazolidine-2,4-dione
PubChem CID126059113
Molecular FormulaC16H10ClNO2S
Molecular Weight315.78 g/mol
Exact Mass315.01
IUPAC Name(5Z)-5-benzylidene-3-(2-chlorophenyl)-1,3-thiazolidine-2,4-dione
SMILESO=C1S/C(=C\c2ccccc2)C(=O)N1c1ccccc1Cl
InChIInChI=1S/C16H10ClNO2S/c17-12-8-4-5-9-13(12)18-15(19)14(21-16(18)20)10-11-6-2-1-3-7-11/h1-10H/b14-10-
InChIKeyHUKMDLCUHMFSFV-UVTDQMKNSA-N
XLogP4.58
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.78
LogP ≤ 54.58
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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Related Compounds

(5Z)-3-(2-chlorophenyl)-5-[[4-(dimethylamino)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 126074640
2-[4-[(E)-[3-(2-chlorophenyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid
CID 27411394
(5Z)-3-(2-chlorophenyl)-5-[[4-(diethylamino)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 126063274
(5Z)-5-benzylidene-3-(2-fluorophenyl)-1,3-thiazolidine-2,4-dione
CID 18840149
methyl 4-[(Z)-[3-(2-chlorophenyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]benzoate
CID 1311597
(5Z)-5-benzylidene-3-(2-chlorophenyl)-2-(2-chlorophenyl)imino-1,3-thiazolidin-4-one
CID 102079405
(5Z)-3-(2-chlorophenyl)-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 1290511
5-[(4-chlorophenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
CID 3746545
(5Z)-5-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-3-(2-chlorophenyl)-1,3-thiazolidine-2,4-dione
CID 126062209
2-[3-[(E)-[3-(2-chlorophenyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]butanoic acid
CID 43862283
(5Z)-3-(2-chlorophenyl)-5-(pyridin-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6532108
(5Z)-3-(2-chlorophenyl)-5-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 126062347

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-benzylidene-3-(2-chlorophenyl)-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-benzylidene-3-(2-chlorophenyl)-1,3-thiazolidine-2,4-dione (CID 126059113) is (5Z)-5-benzylidene-3-(2-chlorophenyl)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-benzylidene-3-(2-chlorophenyl)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-benzylidene-3-(2-chlorophenyl)-1,3-thiazolidine-2,4-dione is O=C1S/C(=C\c2ccccc2)C(=O)N1c1ccccc1Cl.
What is the InChIKey of (5Z)-5-benzylidene-3-(2-chlorophenyl)-1,3-thiazolidine-2,4-dione?
The InChIKey is HUKMDLCUHMFSFV-UVTDQMKNSA-N. The full InChI is InChI=1S/C16H10ClNO2S/c17-12-8-4-5-9-13(12)18-15(19)14(21-16(18)20)10-11-6-2-1-3-7-11/h1-10H/b14-10-.
What are the key properties of (5Z)-5-benzylidene-3-(2-chlorophenyl)-1,3-thiazolidine-2,4-dione?
(5Z)-5-benzylidene-3-(2-chlorophenyl)-1,3-thiazolidine-2,4-dione has a molecular weight of 315.78 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-benzylidene-3-(2-chlorophenyl)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 126059113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).