(5E)-4-(3-fluorophenyl)imino-5-[(3-pyrimidin-2-yloxyphenyl)methylidene]-1,3-thiazolidin-2-one

C20H13FN4O2S — CID 135635383

IUPAC(5E)-4-(3-fluorophenyl)imino-5-[(3-pyrimidin-2-yloxyphenyl)methylidene]-1,3-thiazolidin-2-one
SMILESO=C1NC(=N\c2cccc(F)c2)/C(=C\c2cccc(Oc3ncccn3)c2)S1
InChIInChI=1S/C20H13FN4O2S/c21-14-5-2-6-15(12-14)24-18-17(28-20(26)25-18)11-13-4-1-7-16(10-13)27-19-22-8-3-9-23-19/h1-12H,(H,24,25,26)/b17-11+
InChIKeyJPHKCDWABNBNGL-GZTJUZNOSA-N
MW392.42 g/mol
LogP4.94
Rot. Bonds4

About (5E)-4-(3-fluorophenyl)imino-5-[(3-pyrimidin-2-yloxyphenyl)methylidene]-1,3-thiazolidin-2-one

(5E)-4-(3-fluorophenyl)imino-5-[(3-pyrimidin-2-yloxyphenyl)methylidene]-1,3-thiazolidin-2-one (PubChem CID 135635383) has the molecular formula C20H13FN4O2S and a molecular weight of 392.42 g/mol. Its IUPAC name is (5E)-4-(3-fluorophenyl)imino-5-[(3-pyrimidin-2-yloxyphenyl)methylidene]-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name(5E)-4-(3-fluorophenyl)imino-5-[(3-pyrimidin-2-yloxyphenyl)methylidene]-1,3-thiazolidin-2-one
PubChem CID135635383
Molecular FormulaC20H13FN4O2S
Molecular Weight392.42 g/mol
Exact Mass392.07
IUPAC Name(5E)-4-(3-fluorophenyl)imino-5-[(3-pyrimidin-2-yloxyphenyl)methylidene]-1,3-thiazolidin-2-one
SMILESO=C1NC(=N\c2cccc(F)c2)/C(=C\c2cccc(Oc3ncccn3)c2)S1
InChIInChI=1S/C20H13FN4O2S/c21-14-5-2-6-15(12-14)24-18-17(28-20(26)25-18)11-13-4-1-7-16(10-13)27-19-22-8-3-9-23-19/h1-12H,(H,24,25,26)/b17-11+
InChIKeyJPHKCDWABNBNGL-GZTJUZNOSA-N
XLogP4.94
TPSA76.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(5Z)-4-(3-methoxyphenyl)imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-2-one
CID 135634327
(5Z)-5-benzylidene-4-phenylimino-1,3-thiazolidin-2-one
CID 135711750
(5Z)-4-(3,5-dimethoxyphenyl)imino-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-2-one
CID 135634506
(5E)-4-(3,4-difluorophenyl)imino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-2-one
CID 135635357
(5Z)-4-(4-methoxyphenyl)imino-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-2-one
CID 135634493
(5Z)-5-[(4-methoxyphenyl)methylidene]-4-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-2-one
CID 135711713
(5Z)-5-[(4-fluorophenyl)methylidene]-4-(4-hydroxyphenyl)imino-1,3-thiazolidin-2-one
CID 135555338
(5E)-2-(4-fluorophenyl)imino-5-[(3-phenoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 137034519
(5Z)-5-[(4-chlorophenyl)methylidene]-4-phenylimino-1,3-thiazolidin-2-one
CID 135711756
(5Z)-5-benzylidene-4-(4-nitrophenyl)imino-1,3-thiazolidin-2-one
CID 135711695
4-[[(5Z)-5-[(4-fluorophenyl)methylidene]-2-oxo-1,3-thiazolidin-4-ylidene]amino]benzoic acid
CID 135711795
(5Z)-5-[[3,5-dimethyl-1-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]pyrazol-4-yl]methylidene]-4-(3-fluorophenyl)imino-1,3-thiazolidin-2-one
CID 136899522

Frequently Asked Questions

What is the IUPAC name of (5E)-4-(3-fluorophenyl)imino-5-[(3-pyrimidin-2-yloxyphenyl)methylidene]-1,3-thiazolidin-2-one?
The IUPAC name of (5E)-4-(3-fluorophenyl)imino-5-[(3-pyrimidin-2-yloxyphenyl)methylidene]-1,3-thiazolidin-2-one (CID 135635383) is (5E)-4-(3-fluorophenyl)imino-5-[(3-pyrimidin-2-yloxyphenyl)methylidene]-1,3-thiazolidin-2-one.
What is the SMILES notation for (5E)-4-(3-fluorophenyl)imino-5-[(3-pyrimidin-2-yloxyphenyl)methylidene]-1,3-thiazolidin-2-one?
The canonical SMILES for (5E)-4-(3-fluorophenyl)imino-5-[(3-pyrimidin-2-yloxyphenyl)methylidene]-1,3-thiazolidin-2-one is O=C1NC(=N\c2cccc(F)c2)/C(=C\c2cccc(Oc3ncccn3)c2)S1.
What is the InChIKey of (5E)-4-(3-fluorophenyl)imino-5-[(3-pyrimidin-2-yloxyphenyl)methylidene]-1,3-thiazolidin-2-one?
The InChIKey is JPHKCDWABNBNGL-GZTJUZNOSA-N. The full InChI is InChI=1S/C20H13FN4O2S/c21-14-5-2-6-15(12-14)24-18-17(28-20(26)25-18)11-13-4-1-7-16(10-13)27-19-22-8-3-9-23-19/h1-12H,(H,24,25,26)/b17-11+.
What are the key properties of (5E)-4-(3-fluorophenyl)imino-5-[(3-pyrimidin-2-yloxyphenyl)methylidene]-1,3-thiazolidin-2-one?
(5E)-4-(3-fluorophenyl)imino-5-[(3-pyrimidin-2-yloxyphenyl)methylidene]-1,3-thiazolidin-2-one has a molecular weight of 392.42 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-4-(3-fluorophenyl)imino-5-[(3-pyrimidin-2-yloxyphenyl)methylidene]-1,3-thiazolidin-2-one is sourced from PubChem (CID 135635383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).