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

C15H12N2O2S — CID 1279053

IUPAC(5Z)-5-[(1-methylpyrrol-2-yl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
SMILESCn1cccc1/C=C1\SC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C15H12N2O2S/c1-16-9-5-8-12(16)10-13-14(18)17(15(19)20-13)11-6-3-2-4-7-11/h2-10H,1H3/b13-10-
InChIKeyBJRDGVSHKRIGKQ-RAXLEYEMSA-N
MW284.34 g/mol
LogP3.27
Rot. Bonds2

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

(5Z)-5-[(1-methylpyrrol-2-yl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione (PubChem CID 1279053) has the molecular formula C15H12N2O2S and a molecular weight of 284.34 g/mol. Its IUPAC name is (5Z)-5-[(1-methylpyrrol-2-yl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[(1-methylpyrrol-2-yl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
PubChem CID1279053
Molecular FormulaC15H12N2O2S
Molecular Weight284.34 g/mol
Exact Mass284.06
IUPAC Name(5Z)-5-[(1-methylpyrrol-2-yl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
SMILESCn1cccc1/C=C1\SC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C15H12N2O2S/c1-16-9-5-8-12(16)10-13-14(18)17(15(19)20-13)11-6-3-2-4-7-11/h2-10H,1H3/b13-10-
InChIKeyBJRDGVSHKRIGKQ-RAXLEYEMSA-N
XLogP3.27
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 53.27
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-[(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
CID 5967294
(Z)-5-(pyridin-2-ylmethylene)thiazolidine-2,4-dione
CID 1204987
(Z)-5-((1-methyl-1H-pyrrol-2-yl)methylene)-3-(phenylamino)-2-thioxothiazolidin-4-one
CID 1999161
(2E,5Z)-5-((1-methyl-1H-pyrrol-2-yl)methylene)-2-(p-tolylimino)thiazolidin-4-one
CID 135444306
(5Z)-2-(2-methylanilino)-5-[(1-methylpyrrol-2-yl)methylidene]-1,3-thiazol-4-one
CID 135535982
(Z)-5-((1-methyl-1H-indol-3-yl)methylene)-3-phenylthiazolidine-2,4-dione
CID 2020179
3-Thiazoleacetic acid, tetrahydro-5-[(1-methyl-1H-pyrrol-2-yl)methylidene]-4-oxo-2-thioxo-
CID 16195154
(5Z)-2-anilino-5-[(1-methylpyrrol-2-yl)methylidene]-1,3-thiazol-4-one
CID 135529577
3-Phenyl-2-pyridin-2-yl-1,3-thiazolidin-4-one
CID 3237434
(Z)-5-(pyridin-2-ylmethylene)-2-thioxo-3-(m-tolyl)thiazolidin-4-one
CID 1887520
(5E)-5-[(1-methyl-1H-indol-3-yl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
CID 2020178
N-(4-methylphenyl)-2-{5-[(1-methyl-1H-pyrrol-2-yl)methylene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetamide
CID 11839286

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(1-methylpyrrol-2-yl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[(1-methylpyrrol-2-yl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione (CID 1279053) is (5Z)-5-[(1-methylpyrrol-2-yl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[(1-methylpyrrol-2-yl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[(1-methylpyrrol-2-yl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione is Cn1cccc1/C=C1\SC(=O)N(c2ccccc2)C1=O.
What is the InChIKey of (5Z)-5-[(1-methylpyrrol-2-yl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione?
The InChIKey is BJRDGVSHKRIGKQ-RAXLEYEMSA-N. The full InChI is InChI=1S/C15H12N2O2S/c1-16-9-5-8-12(16)10-13-14(18)17(15(19)20-13)11-6-3-2-4-7-11/h2-10H,1H3/b13-10-.
What are the key properties of (5Z)-5-[(1-methylpyrrol-2-yl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione?
(5Z)-5-[(1-methylpyrrol-2-yl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione has a molecular weight of 284.34 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(1-methylpyrrol-2-yl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 1279053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).