(5Z)-3-(2-chlorophenyl)-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione

C15H10ClNO3S — CID 1290511

IUPAC(5Z)-3-(2-chlorophenyl)-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESCc1ccc(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)o1
InChIInChI=1S/C15H10ClNO3S/c1-9-6-7-10(20-9)8-13-14(18)17(15(19)21-13)12-5-3-2-4-11(12)16/h2-8H,1H3/b13-8-
InChIKeyUPNULZUOPPOVPK-JYRVWZFOSA-N
MW319.77 g/mol
LogP4.48
Rot. Bonds2

About (5Z)-3-(2-chlorophenyl)-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione

(5Z)-3-(2-chlorophenyl)-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 1290511) has the molecular formula C15H10ClNO3S and a molecular weight of 319.77 g/mol. Its IUPAC name is (5Z)-3-(2-chlorophenyl)-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-3-(2-chlorophenyl)-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID1290511
Molecular FormulaC15H10ClNO3S
Molecular Weight319.77 g/mol
Exact Mass319.01
IUPAC Name(5Z)-3-(2-chlorophenyl)-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESCc1ccc(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)o1
InChIInChI=1S/C15H10ClNO3S/c1-9-6-7-10(20-9)8-13-14(18)17(15(19)21-13)12-5-3-2-4-11(12)16/h2-8H,1H3/b13-8-
InChIKeyUPNULZUOPPOVPK-JYRVWZFOSA-N
XLogP4.48
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.77
LogP ≤ 54.48
H-Bond Donors ≤ 50
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

(5Z)-5-benzylidene-3-(2-chlorophenyl)-1,3-thiazolidine-2,4-dione
CID 126059113
5-[(5-methylfuran-2-yl)methylidene]-3-(2-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1328225
(5Z)-3-(2,4-dichlorophenyl)-5-[(5-methylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 30206663
(5Z)-3-(2-methylphenyl)-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 18809392
(5Z)-5-[(2-chlorophenyl)methylidene]-3-(2-methylphenyl)-1,3-thiazolidine-2,4-dione
CID 7559354
(5Z)-3-(2-chlorophenyl)-5-[[4-(dimethylamino)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 126074640
(5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-3-(2-methoxyphenyl)-1,3-thiazolidine-2,4-dione
CID 126059008
3-[(2-chloro-6-fluorophenyl)methyl]-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 5079096
3-(2,3-dimethylphenyl)-5-[(5-methylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1364223
3-(2-chlorophenyl)-5-[(2,5-dimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 2928416
5-[(5-methylfuran-2-yl)methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione
CID 3448845
(5Z)-5-[[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-3-(2-methylphenyl)-1,3-thiazolidine-2,4-dione
CID 18809434

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-(2-chlorophenyl)-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-3-(2-chlorophenyl)-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione (CID 1290511) is (5Z)-3-(2-chlorophenyl)-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-3-(2-chlorophenyl)-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-3-(2-chlorophenyl)-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione is Cc1ccc(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)o1.
What is the InChIKey of (5Z)-3-(2-chlorophenyl)-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is UPNULZUOPPOVPK-JYRVWZFOSA-N. The full InChI is InChI=1S/C15H10ClNO3S/c1-9-6-7-10(20-9)8-13-14(18)17(15(19)21-13)12-5-3-2-4-11(12)16/h2-8H,1H3/b13-8-.
What are the key properties of (5Z)-3-(2-chlorophenyl)-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-3-(2-chlorophenyl)-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 319.77 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-(2-chlorophenyl)-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 1290511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).