2-fluoro-N-[(E)-[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]benzamide

C15H12FN3O2S2 — CID 6860870

IUPAC2-fluoro-N-[(E)-[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]benzamide
SMILESO=C(N/N=C1/SCC(=O)N1Cc1cccs1)c1ccccc1F
InChIInChI=1S/C15H12FN3O2S2/c16-12-6-2-1-5-11(12)14(21)17-18-15-19(13(20)9-23-15)8-10-4-3-7-22-10/h1-7H,8-9H2,(H,17,21)/b18-15+
InChIKeyJUNGADISSBAQDL-OBGWFSINSA-N
MW349.41 g/mol
LogP2.66
Rot. Bonds4

About 2-fluoro-N-[(E)-[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]benzamide

2-fluoro-N-[(E)-[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]benzamide (PubChem CID 6860870) has the molecular formula C15H12FN3O2S2 and a molecular weight of 349.41 g/mol. Its IUPAC name is 2-fluoro-N-[(E)-[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[(E)-[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]benzamide
PubChem CID6860870
Molecular FormulaC15H12FN3O2S2
Molecular Weight349.41 g/mol
Exact Mass349.04
IUPAC Name2-fluoro-N-[(E)-[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]benzamide
SMILESO=C(N/N=C1/SCC(=O)N1Cc1cccs1)c1ccccc1F
InChIInChI=1S/C15H12FN3O2S2/c16-12-6-2-1-5-11(12)14(21)17-18-15-19(13(20)9-23-15)8-10-4-3-7-22-10/h1-7H,8-9H2,(H,17,21)/b18-15+
InChIKeyJUNGADISSBAQDL-OBGWFSINSA-N
XLogP2.66
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(E)-[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]benzamide?
The IUPAC name of 2-fluoro-N-[(E)-[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]benzamide (CID 6860870) is 2-fluoro-N-[(E)-[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]benzamide.
What is the SMILES notation for 2-fluoro-N-[(E)-[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]benzamide?
The canonical SMILES for 2-fluoro-N-[(E)-[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]benzamide is O=C(N/N=C1/SCC(=O)N1Cc1cccs1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[(E)-[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]benzamide?
The InChIKey is JUNGADISSBAQDL-OBGWFSINSA-N. The full InChI is InChI=1S/C15H12FN3O2S2/c16-12-6-2-1-5-11(12)14(21)17-18-15-19(13(20)9-23-15)8-10-4-3-7-22-10/h1-7H,8-9H2,(H,17,21)/b18-15+.
What are the key properties of 2-fluoro-N-[(E)-[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]benzamide?
2-fluoro-N-[(E)-[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]benzamide has a molecular weight of 349.41 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(E)-[4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-ylidene]amino]benzamide is sourced from PubChem (CID 6860870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).