5-[(4-chlorophenyl)methylidene]-3-[(4-methoxy-N-methylanilino)methyl]-1,3-thiazolidine-2,4-dione

C19H17ClN2O3S — CID 3356664

IUPAC5-[(4-chlorophenyl)methylidene]-3-[(4-methoxy-N-methylanilino)methyl]-1,3-thiazolidine-2,4-dione
SMILESCOc1ccc(N(C)CN2C(=O)SC(=Cc3ccc(Cl)cc3)C2=O)cc1
InChIInChI=1S/C19H17ClN2O3S/c1-21(15-7-9-16(25-2)10-8-15)12-22-18(23)17(26-19(22)24)11-13-3-5-14(20)6-4-13/h3-11H,12H2,1-2H3
InChIKeyWBGAQAQUGSJFTH-UHFFFAOYSA-N
MW388.88 g/mol
LogP4.48
Rot. Bonds5

About 5-[(4-chlorophenyl)methylidene]-3-[(4-methoxy-N-methylanilino)methyl]-1,3-thiazolidine-2,4-dione

5-[(4-chlorophenyl)methylidene]-3-[(4-methoxy-N-methylanilino)methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 3356664) has the molecular formula C19H17ClN2O3S and a molecular weight of 388.88 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methylidene]-3-[(4-methoxy-N-methylanilino)methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(4-chlorophenyl)methylidene]-3-[(4-methoxy-N-methylanilino)methyl]-1,3-thiazolidine-2,4-dione
PubChem CID3356664
Molecular FormulaC19H17ClN2O3S
Molecular Weight388.88 g/mol
Exact Mass388.06
IUPAC Name5-[(4-chlorophenyl)methylidene]-3-[(4-methoxy-N-methylanilino)methyl]-1,3-thiazolidine-2,4-dione
SMILESCOc1ccc(N(C)CN2C(=O)SC(=Cc3ccc(Cl)cc3)C2=O)cc1
InChIInChI=1S/C19H17ClN2O3S/c1-21(15-7-9-16(25-2)10-8-15)12-22-18(23)17(26-19(22)24)11-13-3-5-14(20)6-4-13/h3-11H,12H2,1-2H3
InChIKeyWBGAQAQUGSJFTH-UHFFFAOYSA-N
XLogP4.48
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.88
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-3-[(4-methoxy-N-methylanilino)methyl]-1,3-thiazolidine-2,4-dione
CID 5285515
(5E)-3-[2-(4-chlorophenoxy)ethyl]-5-[[4-(dimethylamino)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 1206945
(5Z)-3-(2-aminoethyl)-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione chloride
CID 21178192
(5Z)-3-benzyl-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 1269046
(5E)-3-[(2,6-dichlorophenyl)methyl]-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 1498804
(E)-3-(4-chlorophenyl)-N-[2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]prop-2-enamide
CID 2386717
3-[3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 2860646
3-butyl-5-[(4-chlorophenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 2929513
(5Z)-3-[(2-chloroquinolin-3-yl)methyl]-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 172640252
(5Z)-3-(3-chlorophenyl)-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 1284073
N-(4-chlorophenyl)-2-[(5E)-5-[[1-(4-methoxyphenyl)pyrrol-3-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 50855722
3-[(4-iodoanilino)methyl]-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 2865413

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)methylidene]-3-[(4-methoxy-N-methylanilino)methyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[(4-chlorophenyl)methylidene]-3-[(4-methoxy-N-methylanilino)methyl]-1,3-thiazolidine-2,4-dione (CID 3356664) is 5-[(4-chlorophenyl)methylidene]-3-[(4-methoxy-N-methylanilino)methyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[(4-chlorophenyl)methylidene]-3-[(4-methoxy-N-methylanilino)methyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[(4-chlorophenyl)methylidene]-3-[(4-methoxy-N-methylanilino)methyl]-1,3-thiazolidine-2,4-dione is COc1ccc(N(C)CN2C(=O)SC(=Cc3ccc(Cl)cc3)C2=O)cc1.
What is the InChIKey of 5-[(4-chlorophenyl)methylidene]-3-[(4-methoxy-N-methylanilino)methyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is WBGAQAQUGSJFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O3S/c1-21(15-7-9-16(25-2)10-8-15)12-22-18(23)17(26-19(22)24)11-13-3-5-14(20)6-4-13/h3-11H,12H2,1-2H3.
What are the key properties of 5-[(4-chlorophenyl)methylidene]-3-[(4-methoxy-N-methylanilino)methyl]-1,3-thiazolidine-2,4-dione?
5-[(4-chlorophenyl)methylidene]-3-[(4-methoxy-N-methylanilino)methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 388.88 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)methylidene]-3-[(4-methoxy-N-methylanilino)methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 3356664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).