3-(3,4-dichlorophenyl)-5-[(1-methylpyrrol-2-yl)methylidene]-1,3-thiazolidine-2,4-dione

C15H10Cl2N2O2S — CID 4762505

IUPAC3-(3,4-dichlorophenyl)-5-[(1-methylpyrrol-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESCn1cccc1C=C1SC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O
InChIInChI=1S/C15H10Cl2N2O2S/c1-18-6-2-3-9(18)8-13-14(20)19(15(21)22-13)10-4-5-11(16)12(17)7-10/h2-8H,1H3
InChIKeyIUHKCBWLXWNCMM-UHFFFAOYSA-N
MW353.23 g/mol
LogP4.57
Rot. Bonds2

About 3-(3,4-dichlorophenyl)-5-[(1-methylpyrrol-2-yl)methylidene]-1,3-thiazolidine-2,4-dione

3-(3,4-dichlorophenyl)-5-[(1-methylpyrrol-2-yl)methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 4762505) has the molecular formula C15H10Cl2N2O2S and a molecular weight of 353.23 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-5-[(1-methylpyrrol-2-yl)methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-5-[(1-methylpyrrol-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID4762505
Molecular FormulaC15H10Cl2N2O2S
Molecular Weight353.23 g/mol
Exact Mass351.98
IUPAC Name3-(3,4-dichlorophenyl)-5-[(1-methylpyrrol-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESCn1cccc1C=C1SC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O
InChIInChI=1S/C15H10Cl2N2O2S/c1-18-6-2-3-9(18)8-13-14(20)19(15(21)22-13)10-4-5-11(16)12(17)7-10/h2-8H,1H3
InChIKeyIUHKCBWLXWNCMM-UHFFFAOYSA-N
XLogP4.57
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.23
LogP ≤ 54.57
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

(5E)-3-(3,4-dichlorophenyl)-5-[(1-methylpyrrol-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 7730111
(5E)-3-(2-methylphenyl)-5-[(1-methylpyrrol-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 18836679
(5Z)-5-[(3,4-dichlorophenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
CID 2251768
(5Z)-3-(3,4-dichlorophenyl)-5-[(4-ethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 18840948
(5Z)-3-(3,4-dichlorophenyl)-5-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 18840885
(5Z)-3-(3,4-dichlorophenyl)-5-[(2,4-dimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 18840878
(5Z)-5-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-(3,4-dichlorophenyl)-1,3-thiazolidine-2,4-dione
CID 18840887
(5Z)-5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-3-(4-methylphenyl)-1,3-thiazolidine-2,4-dione
CID 18809409
(5Z)-5-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-(3,4-dichlorophenyl)-1,3-thiazolidine-2,4-dione
CID 18840889
(5Z)-3-(1,3-benzodioxol-5-yl)-5-[(1-methylpyrrol-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2014789
2-[3-[(E)-[3-(3,4-dichlorophenyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid
CID 1327193
(5Z)-3-(3,4-dichlorophenyl)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 18840930

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-5-[(1-methylpyrrol-2-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 3-(3,4-dichlorophenyl)-5-[(1-methylpyrrol-2-yl)methylidene]-1,3-thiazolidine-2,4-dione (CID 4762505) is 3-(3,4-dichlorophenyl)-5-[(1-methylpyrrol-2-yl)methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-5-[(1-methylpyrrol-2-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 3-(3,4-dichlorophenyl)-5-[(1-methylpyrrol-2-yl)methylidene]-1,3-thiazolidine-2,4-dione is Cn1cccc1C=C1SC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O.
What is the InChIKey of 3-(3,4-dichlorophenyl)-5-[(1-methylpyrrol-2-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is IUHKCBWLXWNCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O2S/c1-18-6-2-3-9(18)8-13-14(20)19(15(21)22-13)10-4-5-11(16)12(17)7-10/h2-8H,1H3.
What are the key properties of 3-(3,4-dichlorophenyl)-5-[(1-methylpyrrol-2-yl)methylidene]-1,3-thiazolidine-2,4-dione?
3-(3,4-dichlorophenyl)-5-[(1-methylpyrrol-2-yl)methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 353.23 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-5-[(1-methylpyrrol-2-yl)methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 4762505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).