5-[[1-(4-fluorophenyl)pyrrol-2-yl]methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one

C16H14FN3OS — CID 1494138

IUPAC5-[[1-(4-fluorophenyl)pyrrol-2-yl]methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one
SMILESC/N=C1/SC(=Cc2cccn2-c2ccc(F)cc2)C(=O)N1C
InChIInChI=1S/C16H14FN3OS/c1-18-16-19(2)15(21)14(22-16)10-13-4-3-9-20(13)12-7-5-11(17)6-8-12/h3-10H,1-2H3/b14-10?,18-16+
InChIKeyIKMWBCQVYJRQSM-LYOGEXQLSA-N
MW315.37 g/mol
LogP3.15
Rot. Bonds2

About 5-[[1-(4-fluorophenyl)pyrrol-2-yl]methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one

5-[[1-(4-fluorophenyl)pyrrol-2-yl]methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one (PubChem CID 1494138) has the molecular formula C16H14FN3OS and a molecular weight of 315.37 g/mol. Its IUPAC name is 5-[[1-(4-fluorophenyl)pyrrol-2-yl]methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-[[1-(4-fluorophenyl)pyrrol-2-yl]methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one
PubChem CID1494138
Molecular FormulaC16H14FN3OS
Molecular Weight315.37 g/mol
Exact Mass315.08
IUPAC Name5-[[1-(4-fluorophenyl)pyrrol-2-yl]methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one
SMILESC/N=C1/SC(=Cc2cccn2-c2ccc(F)cc2)C(=O)N1C
InChIInChI=1S/C16H14FN3OS/c1-18-16-19(2)15(21)14(22-16)10-13-4-3-9-20(13)12-7-5-11(17)6-8-12/h3-10H,1-2H3/b14-10?,18-16+
InChIKeyIKMWBCQVYJRQSM-LYOGEXQLSA-N
XLogP3.15
TPSA37.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 5-[[1-(4-fluorophenyl)pyrrol-2-yl]methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5Z)-5-[[1-(4-chlorophenyl)pyrrol-2-yl]methylidene]-3-methyl-1,3-thiazolidine-2,4-dione
CID 2162019
(5E)-5-[[1-(4-fluorophenyl)pyrrol-2-yl]methylidene]-3-(2-methoxyethyl)-1,3-thiazolidine-2,4-dione
CID 126133114
(5E)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one
CID 21208578
(5Z)-5-[[1-(4-hydroxyphenyl)pyrrol-2-yl]methylidene]-3-methyl-2-(4-piperidin-1-ylphenyl)imino-1,3-thiazolidin-4-one
CID 126028016
(5Z)-2-(4-fluorophenyl)imino-5-[[1-(4-methoxyphenyl)pyrrol-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 136815080
(5E)-5-[[1-(4-fluorophenyl)pyrrol-2-yl]methylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidine-2,4-dione
CID 21377360
(5E)-2-(4-fluorophenyl)imino-5-[(4-fluorophenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one
CID 9485896
5-(anthracen-9-ylmethylidene)-3-methyl-2-methylimino-1,3-thiazolidin-4-one
CID 1278994
4-[2-[(Z)-(4-oxo-2-phenylimino-3-propyl-1,3-thiazolidin-5-ylidene)methyl]pyrrol-1-yl]benzoic acid
CID 126232454
(5Z)-5-[[1-acetyl-3-(4-fluorophenyl)pyrazol-4-yl]methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one
CID 1202685
(5Z)-5-[[1-(4-hydroxyphenyl)pyrrol-2-yl]methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
CID 126025956
5-[[1-(4-bromophenyl)pyrrol-2-yl]methylidene]-3-(2-methoxyethyl)-2-phenylimino-1,3-thiazolidin-4-one
CID 4646111

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(4-fluorophenyl)pyrrol-2-yl]methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one?
The IUPAC name of 5-[[1-(4-fluorophenyl)pyrrol-2-yl]methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one (CID 1494138) is 5-[[1-(4-fluorophenyl)pyrrol-2-yl]methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-[[1-(4-fluorophenyl)pyrrol-2-yl]methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one?
The canonical SMILES for 5-[[1-(4-fluorophenyl)pyrrol-2-yl]methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one is C/N=C1/SC(=Cc2cccn2-c2ccc(F)cc2)C(=O)N1C.
What is the InChIKey of 5-[[1-(4-fluorophenyl)pyrrol-2-yl]methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one?
The InChIKey is IKMWBCQVYJRQSM-LYOGEXQLSA-N. The full InChI is InChI=1S/C16H14FN3OS/c1-18-16-19(2)15(21)14(22-16)10-13-4-3-9-20(13)12-7-5-11(17)6-8-12/h3-10H,1-2H3/b14-10?,18-16+.
What are the key properties of 5-[[1-(4-fluorophenyl)pyrrol-2-yl]methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one?
5-[[1-(4-fluorophenyl)pyrrol-2-yl]methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one has a molecular weight of 315.37 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(4-fluorophenyl)pyrrol-2-yl]methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 1494138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).