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

C18H15FN2O3S — CID 156601275

IUPAC(5E)-5-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-imino-1,3-thiazolidin-4-one
SMILES[H]/N=C1/NC(=O)/C(=C\c2ccc(OCc3ccccc3F)c(OC)c2)S1
InChIInChI=1S/C18H15FN2O3S/c1-23-15-8-11(9-16-17(22)21-18(20)25-16)6-7-14(15)24-10-12-4-2-3-5-13(12)19/h2-9H,10H2,1H3,(H2,20,21,22)/b16-9+
InChIKeyMKROYPKCYJFPAT-CXUHLZMHSA-N
MW358.39 g/mol
LogP3.55
Rot. Bonds5

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

(5E)-5-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-imino-1,3-thiazolidin-4-one (PubChem CID 156601275) has the molecular formula C18H15FN2O3S and a molecular weight of 358.39 g/mol. Its IUPAC name is (5E)-5-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-5-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-imino-1,3-thiazolidin-4-one
PubChem CID156601275
Molecular FormulaC18H15FN2O3S
Molecular Weight358.39 g/mol
Exact Mass358.08
IUPAC Name(5E)-5-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-imino-1,3-thiazolidin-4-one
SMILES[H]/N=C1/NC(=O)/C(=C\c2ccc(OCc3ccccc3F)c(OC)c2)S1
InChIInChI=1S/C18H15FN2O3S/c1-23-15-8-11(9-16-17(22)21-18(20)25-16)6-7-14(15)24-10-12-4-2-3-5-13(12)19/h2-9H,10H2,1H3,(H2,20,21,22)/b16-9+
InChIKeyMKROYPKCYJFPAT-CXUHLZMHSA-N
XLogP3.55
TPSA71.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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 (5E)-5-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-imino-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-5-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-imino-1,3-thiazolidin-4-one (CID 156601275) is (5E)-5-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-imino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-5-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-imino-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-5-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-imino-1,3-thiazolidin-4-one is [H]/N=C1/NC(=O)/C(=C\c2ccc(OCc3ccccc3F)c(OC)c2)S1.
What is the InChIKey of (5E)-5-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-imino-1,3-thiazolidin-4-one?
The InChIKey is MKROYPKCYJFPAT-CXUHLZMHSA-N. The full InChI is InChI=1S/C18H15FN2O3S/c1-23-15-8-11(9-16-17(22)21-18(20)25-16)6-7-14(15)24-10-12-4-2-3-5-13(12)19/h2-9H,10H2,1H3,(H2,20,21,22)/b16-9+.
What are the key properties of (5E)-5-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-imino-1,3-thiazolidin-4-one?
(5E)-5-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-imino-1,3-thiazolidin-4-one has a molecular weight of 358.39 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 156601275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).