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

C16H11ClFN3OS — CID 18843210

IUPAC(5Z)-2-[(2-chloro-3-pyridinyl)imino]-5-[(2-fluorophenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one
SMILESCN1C(=O)/C(=C/c2ccccc2F)S/C1=N/c1cccnc1Cl
InChIInChI=1S/C16H11ClFN3OS/c1-21-15(22)13(9-10-5-2-3-6-11(10)18)23-16(21)20-12-7-4-8-19-14(12)17/h2-9H,1H3/b13-9-,20-16+
InChIKeyCLANONLPVXTBDY-HKCQVPRMSA-N
MW347.80 g/mol
LogP4.11
Rot. Bonds2

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

(5Z)-2-[(2-chloro-3-pyridinyl)imino]-5-[(2-fluorophenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one (PubChem CID 18843210) 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-[(2-fluorophenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-[(2-chloro-3-pyridinyl)imino]-5-[(2-fluorophenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one
PubChem CID18843210
Molecular FormulaC16H11ClFN3OS
Molecular Weight347.80 g/mol
Exact Mass347.03
IUPAC Name(5Z)-2-[(2-chloro-3-pyridinyl)imino]-5-[(2-fluorophenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one
SMILESCN1C(=O)/C(=C/c2ccccc2F)S/C1=N/c1cccnc1Cl
InChIInChI=1S/C16H11ClFN3OS/c1-21-15(22)13(9-10-5-2-3-6-11(10)18)23-16(21)20-12-7-4-8-19-14(12)17/h2-9H,1H3/b13-9-,20-16+
InChIKeyCLANONLPVXTBDY-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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Frequently Asked Questions

What is the IUPAC name of (5Z)-2-[(2-chloro-3-pyridinyl)imino]-5-[(2-fluorophenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-[(2-chloro-3-pyridinyl)imino]-5-[(2-fluorophenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one (CID 18843210) is (5Z)-2-[(2-chloro-3-pyridinyl)imino]-5-[(2-fluorophenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-[(2-chloro-3-pyridinyl)imino]-5-[(2-fluorophenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-[(2-chloro-3-pyridinyl)imino]-5-[(2-fluorophenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one is CN1C(=O)/C(=C/c2ccccc2F)S/C1=N/c1cccnc1Cl.
What is the InChIKey of (5Z)-2-[(2-chloro-3-pyridinyl)imino]-5-[(2-fluorophenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one?
The InChIKey is CLANONLPVXTBDY-HKCQVPRMSA-N. The full InChI is InChI=1S/C16H11ClFN3OS/c1-21-15(22)13(9-10-5-2-3-6-11(10)18)23-16(21)20-12-7-4-8-19-14(12)17/h2-9H,1H3/b13-9-,20-16+.
What are the key properties of (5Z)-2-[(2-chloro-3-pyridinyl)imino]-5-[(2-fluorophenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one?
(5Z)-2-[(2-chloro-3-pyridinyl)imino]-5-[(2-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-[(2-fluorophenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 18843210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).