(5Z)-2-phenylimino-5-[(1-phenylpyrrol-2-yl)methylidene]-1,3-thiazolidin-4-one

C20H15N3OS — CID 135442071

IUPAC(5Z)-2-phenylimino-5-[(1-phenylpyrrol-2-yl)methylidene]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2ccccc2)S/C1=C\c1cccn1-c1ccccc1
InChIInChI=1S/C20H15N3OS/c24-19-18(25-20(22-19)21-15-8-3-1-4-9-15)14-17-12-7-13-23(17)16-10-5-2-6-11-16/h1-14H,(H,21,22,24)/b18-14-
InChIKeyQXJUEICLCKPRFJ-JXAWBTAJSA-N
MW345.43 g/mol
LogP4.37
Rot. Bonds3

About (5Z)-2-phenylimino-5-[(1-phenylpyrrol-2-yl)methylidene]-1,3-thiazolidin-4-one

(5Z)-2-phenylimino-5-[(1-phenylpyrrol-2-yl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 135442071) has the molecular formula C20H15N3OS and a molecular weight of 345.43 g/mol. Its IUPAC name is (5Z)-2-phenylimino-5-[(1-phenylpyrrol-2-yl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-phenylimino-5-[(1-phenylpyrrol-2-yl)methylidene]-1,3-thiazolidin-4-one
PubChem CID135442071
Molecular FormulaC20H15N3OS
Molecular Weight345.43 g/mol
Exact Mass345.09
IUPAC Name(5Z)-2-phenylimino-5-[(1-phenylpyrrol-2-yl)methylidene]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2ccccc2)S/C1=C\c1cccn1-c1ccccc1
InChIInChI=1S/C20H15N3OS/c24-19-18(25-20(22-19)21-15-8-3-1-4-9-15)14-17-12-7-13-23(17)16-10-5-2-6-11-16/h1-14H,(H,21,22,24)/b18-14-
InChIKeyQXJUEICLCKPRFJ-JXAWBTAJSA-N
XLogP4.37
TPSA46.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_C(13)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-2-phenylimino-5-[(1-phenylpyrrol-2-yl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-phenylimino-5-[(1-phenylpyrrol-2-yl)methylidene]-1,3-thiazolidin-4-one (CID 135442071) is (5Z)-2-phenylimino-5-[(1-phenylpyrrol-2-yl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-phenylimino-5-[(1-phenylpyrrol-2-yl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-phenylimino-5-[(1-phenylpyrrol-2-yl)methylidene]-1,3-thiazolidin-4-one is O=C1N/C(=N\c2ccccc2)S/C1=C\c1cccn1-c1ccccc1.
What is the InChIKey of (5Z)-2-phenylimino-5-[(1-phenylpyrrol-2-yl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is QXJUEICLCKPRFJ-JXAWBTAJSA-N. The full InChI is InChI=1S/C20H15N3OS/c24-19-18(25-20(22-19)21-15-8-3-1-4-9-15)14-17-12-7-13-23(17)16-10-5-2-6-11-16/h1-14H,(H,21,22,24)/b18-14-.
What are the key properties of (5Z)-2-phenylimino-5-[(1-phenylpyrrol-2-yl)methylidene]-1,3-thiazolidin-4-one?
(5Z)-2-phenylimino-5-[(1-phenylpyrrol-2-yl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 345.43 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-phenylimino-5-[(1-phenylpyrrol-2-yl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135442071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).