(5Z)-2-[(2-chloro-3-pyridinyl)imino]-5-[(3-fluorophenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one

C16H11ClFN3OS — CID 18843211

IUPAC(5Z)-2-[(2-chloro-3-pyridinyl)imino]-5-[(3-fluorophenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one
SMILESCN1C(=O)/C(=C/c2cccc(F)c2)S/C1=N/c1cccnc1Cl
InChIInChI=1S/C16H11ClFN3OS/c1-21-15(22)13(9-10-4-2-5-11(18)8-10)23-16(21)20-12-6-3-7-19-14(12)17/h2-9H,1H3/b13-9-,20-16+
InChIKeyUNNMQGFXAAYPDJ-HKCQVPRMSA-N
MW347.80 g/mol
LogP4.11
Rot. Bonds2

About (5Z)-2-[(2-chloro-3-pyridinyl)imino]-5-[(3-fluorophenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one

(5Z)-2-[(2-chloro-3-pyridinyl)imino]-5-[(3-fluorophenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one (PubChem CID 18843211) has the molecular formula C16H11ClFN3OS and a molecular weight of 347.80 g/mol. Its IUPAC name is (5Z)-2-[(2-chloro-3-pyridinyl)imino]-5-[(3-fluorophenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-[(2-chloro-3-pyridinyl)imino]-5-[(3-fluorophenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one
PubChem CID18843211
Molecular FormulaC16H11ClFN3OS
Molecular Weight347.80 g/mol
Exact Mass347.03
IUPAC Name(5Z)-2-[(2-chloro-3-pyridinyl)imino]-5-[(3-fluorophenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one
SMILESCN1C(=O)/C(=C/c2cccc(F)c2)S/C1=N/c1cccnc1Cl
InChIInChI=1S/C16H11ClFN3OS/c1-21-15(22)13(9-10-4-2-5-11(18)8-10)23-16(21)20-12-6-3-7-19-14(12)17/h2-9H,1H3/b13-9-,20-16+
InChIKeyUNNMQGFXAAYPDJ-HKCQVPRMSA-N
XLogP4.11
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5Z)-2-[(2-chloro-3-pyridinyl)imino]-5-[(4-fluorophenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one
CID 18843212
2-[[(5Z)-5-[(3-fluorophenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid
CID 27435167
methyl 4-[(Z)-[2-[(2-chloro-3-pyridinyl)imino]-3-methyl-4-oxo-1,3-thiazolidin-5-ylidene]methyl]benzoate
CID 18843209
(5E)-2-[(2-chloro-3-pyridinyl)imino]-5-(furan-2-ylmethylidene)-3-methyl-1,3-thiazolidin-4-one
CID 18843200
(5Z)-2-[(2-chloro-3-pyridinyl)imino]-3-ethyl-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidin-4-one
CID 18843315
(5E)-5-[(4-chlorophenyl)methylidene]-2-(2,4-difluorophenyl)imino-3-methyl-1,3-thiazolidin-4-one
CID 9486023
(5Z)-5-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]-2-[(2-chloro-3-pyridinyl)imino]-3-methyl-1,3-thiazolidin-4-one
CID 18843177
2-[3-[(E)-[2-(2-chlorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid
CID 9486202
(5E)-2-(4-fluorophenyl)imino-5-[(3-methoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one
CID 9485805
ethyl 2-[3-[(E)-[2-(2-fluorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetate
CID 9485585
(5Z)-2-[(2-chloro-3-pyridinyl)imino]-3-cyclohexyl-5-[(4-ethylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 18843653
2-[[(5Z)-3-methyl-5-[(3-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid
CID 27435117

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-[(2-chloro-3-pyridinyl)imino]-5-[(3-fluorophenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-[(2-chloro-3-pyridinyl)imino]-5-[(3-fluorophenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one (CID 18843211) is (5Z)-2-[(2-chloro-3-pyridinyl)imino]-5-[(3-fluorophenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-[(2-chloro-3-pyridinyl)imino]-5-[(3-fluorophenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-[(2-chloro-3-pyridinyl)imino]-5-[(3-fluorophenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one is CN1C(=O)/C(=C/c2cccc(F)c2)S/C1=N/c1cccnc1Cl.
What is the InChIKey of (5Z)-2-[(2-chloro-3-pyridinyl)imino]-5-[(3-fluorophenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one?
The InChIKey is UNNMQGFXAAYPDJ-HKCQVPRMSA-N. The full InChI is InChI=1S/C16H11ClFN3OS/c1-21-15(22)13(9-10-4-2-5-11(18)8-10)23-16(21)20-12-6-3-7-19-14(12)17/h2-9H,1H3/b13-9-,20-16+.
What are the key properties of (5Z)-2-[(2-chloro-3-pyridinyl)imino]-5-[(3-fluorophenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one?
(5Z)-2-[(2-chloro-3-pyridinyl)imino]-5-[(3-fluorophenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one has a molecular weight of 347.80 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-[(2-chloro-3-pyridinyl)imino]-5-[(3-fluorophenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 18843211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).