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

C15H11ClN2O2S — CID 2162019

IUPAC(5Z)-5-[[1-(4-chlorophenyl)pyrrol-2-yl]methylidene]-3-methyl-1,3-thiazolidine-2,4-dione
SMILESCN1C(=O)S/C(=C\c2cccn2-c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C15H11ClN2O2S/c1-17-14(19)13(21-15(17)20)9-12-3-2-8-18(12)11-6-4-10(16)5-7-11/h2-9H,1H3/b13-9-
InChIKeyMIXKRUXZYSXHOW-LCYFTJDESA-N
MW318.79 g/mol
LogP3.80
Rot. Bonds2

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

(5Z)-5-[[1-(4-chlorophenyl)pyrrol-2-yl]methylidene]-3-methyl-1,3-thiazolidine-2,4-dione (PubChem CID 2162019) has the molecular formula C15H11ClN2O2S and a molecular weight of 318.79 g/mol. Its IUPAC name is (5Z)-5-[[1-(4-chlorophenyl)pyrrol-2-yl]methylidene]-3-methyl-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[1-(4-chlorophenyl)pyrrol-2-yl]methylidene]-3-methyl-1,3-thiazolidine-2,4-dione
PubChem CID2162019
Molecular FormulaC15H11ClN2O2S
Molecular Weight318.79 g/mol
Exact Mass318.02
IUPAC Name(5Z)-5-[[1-(4-chlorophenyl)pyrrol-2-yl]methylidene]-3-methyl-1,3-thiazolidine-2,4-dione
SMILESCN1C(=O)S/C(=C\c2cccn2-c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C15H11ClN2O2S/c1-17-14(19)13(21-15(17)20)9-12-3-2-8-18(12)11-6-4-10(16)5-7-11/h2-9H,1H3/b13-9-
InChIKeyMIXKRUXZYSXHOW-LCYFTJDESA-N
XLogP3.80
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.79
LogP ≤ 53.80
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)-5-[[1-(4-chlorophenyl)pyrrol-2-yl]methylidene]-3-ethyl-1,3-thiazolidine-2,4-dione
CID 126073478
ethyl 2-[(5Z)-5-[[1-(4-chlorophenyl)pyrrol-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
CID 2288108
2-[(5Z)-5-[[1-(4-chlorophenyl)pyrrol-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)acetamide
CID 2171142
5-[[1-(4-chlorophenyl)pyrrol-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2902036
(5Z)-5-[[1-(4-chlorophenyl)pyrrol-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1342290
5-[[1-(4-fluorophenyl)pyrrol-2-yl]methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one
CID 1494138
(5E)-5-[[1-(4-fluorophenyl)pyrrol-2-yl]methylidene]-3-(2-methoxyethyl)-1,3-thiazolidine-2,4-dione
CID 126133114
4-[2-[(E)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]pyrrol-1-yl]benzoic acid
CID 124650120
2-[(5E)-5-[[1-(4-iodophenyl)pyrrol-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid
CID 6520390
3-[2-[[3-[(4-chlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]pyrrol-1-yl]benzoic acid
CID 3398817
(5E)-3-(3-methoxypropyl)-5-[(1-phenylpyrrol-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 126242035
(5E)-3-ethyl-5-[[1-(4-nitrophenyl)pyrrol-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 2190711

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[1-(4-chlorophenyl)pyrrol-2-yl]methylidene]-3-methyl-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[1-(4-chlorophenyl)pyrrol-2-yl]methylidene]-3-methyl-1,3-thiazolidine-2,4-dione (CID 2162019) is (5Z)-5-[[1-(4-chlorophenyl)pyrrol-2-yl]methylidene]-3-methyl-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[1-(4-chlorophenyl)pyrrol-2-yl]methylidene]-3-methyl-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[1-(4-chlorophenyl)pyrrol-2-yl]methylidene]-3-methyl-1,3-thiazolidine-2,4-dione is CN1C(=O)S/C(=C\c2cccn2-c2ccc(Cl)cc2)C1=O.
What is the InChIKey of (5Z)-5-[[1-(4-chlorophenyl)pyrrol-2-yl]methylidene]-3-methyl-1,3-thiazolidine-2,4-dione?
The InChIKey is MIXKRUXZYSXHOW-LCYFTJDESA-N. The full InChI is InChI=1S/C15H11ClN2O2S/c1-17-14(19)13(21-15(17)20)9-12-3-2-8-18(12)11-6-4-10(16)5-7-11/h2-9H,1H3/b13-9-.
What are the key properties of (5Z)-5-[[1-(4-chlorophenyl)pyrrol-2-yl]methylidene]-3-methyl-1,3-thiazolidine-2,4-dione?
(5Z)-5-[[1-(4-chlorophenyl)pyrrol-2-yl]methylidene]-3-methyl-1,3-thiazolidine-2,4-dione has a molecular weight of 318.79 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[1-(4-chlorophenyl)pyrrol-2-yl]methylidene]-3-methyl-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 2162019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).