(5Z)-3-(4-fluorophenyl)-2-imino-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidin-4-one

C20H13FN2OS — CID 1267283

IUPAC(5Z)-3-(4-fluorophenyl)-2-imino-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidin-4-one
SMILES[H]/N=C1\S/C(=C\c2cccc3ccccc23)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C20H13FN2OS/c21-15-8-10-16(11-9-15)23-19(24)18(25-20(23)22)12-14-6-3-5-13-4-1-2-7-17(13)14/h1-12,22H/b18-12-,22-20-
InChIKeyDFWMMYPJMJQXSD-JLZFKDTQSA-N
MW348.40 g/mol
LogP5.03
Rot. Bonds2

About (5Z)-3-(4-fluorophenyl)-2-imino-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidin-4-one

(5Z)-3-(4-fluorophenyl)-2-imino-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidin-4-one (PubChem CID 1267283) has the molecular formula C20H13FN2OS and a molecular weight of 348.40 g/mol. Its IUPAC name is (5Z)-3-(4-fluorophenyl)-2-imino-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-3-(4-fluorophenyl)-2-imino-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidin-4-one
PubChem CID1267283
Molecular FormulaC20H13FN2OS
Molecular Weight348.40 g/mol
Exact Mass348.07
IUPAC Name(5Z)-3-(4-fluorophenyl)-2-imino-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidin-4-one
SMILES[H]/N=C1\S/C(=C\c2cccc3ccccc23)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C20H13FN2OS/c21-15-8-10-16(11-9-15)23-19(24)18(25-20(23)22)12-14-6-3-5-13-4-1-2-7-17(13)14/h1-12,22H/b18-12-,22-20-
InChIKeyDFWMMYPJMJQXSD-JLZFKDTQSA-N
XLogP5.03
TPSA44.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.40
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (5Z)-3-(4-fluorophenyl)-2-imino-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-3-(4-fluorophenyl)-2-imino-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidin-4-one (CID 1267283) is (5Z)-3-(4-fluorophenyl)-2-imino-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-3-(4-fluorophenyl)-2-imino-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-3-(4-fluorophenyl)-2-imino-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidin-4-one is [H]/N=C1\S/C(=C\c2cccc3ccccc23)C(=O)N1c1ccc(F)cc1.
What is the InChIKey of (5Z)-3-(4-fluorophenyl)-2-imino-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidin-4-one?
The InChIKey is DFWMMYPJMJQXSD-JLZFKDTQSA-N. The full InChI is InChI=1S/C20H13FN2OS/c21-15-8-10-16(11-9-15)23-19(24)18(25-20(23)22)12-14-6-3-5-13-4-1-2-7-17(13)14/h1-12,22H/b18-12-,22-20-.
What are the key properties of (5Z)-3-(4-fluorophenyl)-2-imino-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidin-4-one?
(5Z)-3-(4-fluorophenyl)-2-imino-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidin-4-one has a molecular weight of 348.40 g/mol, XLogP of 5.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-(4-fluorophenyl)-2-imino-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 1267283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).