(5E)-4-(3,4-difluorophenyl)imino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-2-one

C15H9F2N3OS — CID 135635357

IUPAC(5E)-4-(3,4-difluorophenyl)imino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-2-one
SMILESO=C1NC(=N\c2ccc(F)c(F)c2)/C(=C\c2ccncc2)S1
InChIInChI=1S/C15H9F2N3OS/c16-11-2-1-10(8-12(11)17)19-14-13(22-15(21)20-14)7-9-3-5-18-6-4-9/h1-8H,(H,19,20,21)/b13-7+
InChIKeyPNSWEDHTYHAXOH-NTUHNPAUSA-N
MW317.32 g/mol
LogP3.89
Rot. Bonds2

About (5E)-4-(3,4-difluorophenyl)imino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-2-one

(5E)-4-(3,4-difluorophenyl)imino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-2-one (PubChem CID 135635357) has the molecular formula C15H9F2N3OS and a molecular weight of 317.32 g/mol. Its IUPAC name is (5E)-4-(3,4-difluorophenyl)imino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name(5E)-4-(3,4-difluorophenyl)imino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-2-one
PubChem CID135635357
Molecular FormulaC15H9F2N3OS
Molecular Weight317.32 g/mol
Exact Mass317.04
IUPAC Name(5E)-4-(3,4-difluorophenyl)imino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-2-one
SMILESO=C1NC(=N\c2ccc(F)c(F)c2)/C(=C\c2ccncc2)S1
InChIInChI=1S/C15H9F2N3OS/c16-11-2-1-10(8-12(11)17)19-14-13(22-15(21)20-14)7-9-3-5-18-6-4-9/h1-8H,(H,19,20,21)/b13-7+
InChIKeyPNSWEDHTYHAXOH-NTUHNPAUSA-N
XLogP3.89
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5E)-5-(pyridin-4-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 1397819
(5Z)-5-[(4-fluorophenyl)methylidene]-4-(4-hydroxyphenyl)imino-1,3-thiazolidin-2-one
CID 135555338
(5Z)-5-[(4-chlorophenyl)methylidene]-4-phenylimino-1,3-thiazolidin-2-one
CID 135711756
(5Z)-5-benzylidene-4-phenylimino-1,3-thiazolidin-2-one
CID 135711750
4-[[(5Z)-5-[(4-fluorophenyl)methylidene]-2-oxo-1,3-thiazolidin-4-ylidene]amino]benzoic acid
CID 135711795
(5Z)-4-(4-chlorophenyl)imino-5-[(1-methylpyrazol-4-yl)methylidene]-1,3-thiazolidin-2-one
CID 135634039
(5Z)-4-(4-methoxyphenyl)imino-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-2-one
CID 135634493
(5E)-4-(3-fluorophenyl)imino-5-[(3-pyrimidin-2-yloxyphenyl)methylidene]-1,3-thiazolidin-2-one
CID 135635383
(5Z)-4-(3,5-dimethoxyphenyl)imino-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-2-one
CID 135634506
(5Z)-5-benzylidene-4-(4-nitrophenyl)imino-1,3-thiazolidin-2-one
CID 135711695
(5Z)-5-[[4-(3,4-difluorophenyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 25067903
(5Z)-5-[(4-bromophenyl)methylidene]-4-(4-methylphenyl)imino-1,3-thiazolidin-2-one
CID 135672066

Frequently Asked Questions

What is the IUPAC name of (5E)-4-(3,4-difluorophenyl)imino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-2-one?
The IUPAC name of (5E)-4-(3,4-difluorophenyl)imino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-2-one (CID 135635357) is (5E)-4-(3,4-difluorophenyl)imino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-2-one.
What is the SMILES notation for (5E)-4-(3,4-difluorophenyl)imino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-2-one?
The canonical SMILES for (5E)-4-(3,4-difluorophenyl)imino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-2-one is O=C1NC(=N\c2ccc(F)c(F)c2)/C(=C\c2ccncc2)S1.
What is the InChIKey of (5E)-4-(3,4-difluorophenyl)imino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-2-one?
The InChIKey is PNSWEDHTYHAXOH-NTUHNPAUSA-N. The full InChI is InChI=1S/C15H9F2N3OS/c16-11-2-1-10(8-12(11)17)19-14-13(22-15(21)20-14)7-9-3-5-18-6-4-9/h1-8H,(H,19,20,21)/b13-7+.
What are the key properties of (5E)-4-(3,4-difluorophenyl)imino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-2-one?
(5E)-4-(3,4-difluorophenyl)imino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-2-one has a molecular weight of 317.32 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-4-(3,4-difluorophenyl)imino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-2-one is sourced from PubChem (CID 135635357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).