N-[(5Z)-5-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide

C23H17FN2O3S — CID 126033348

IUPACN-[(5Z)-5-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)NC1=NC(=O)/C(=C/c2c(OCc3ccccc3F)ccc3ccccc23)S1
InChIInChI=1S/C23H17FN2O3S/c1-14(27)25-23-26-22(28)21(30-23)12-18-17-8-4-2-6-15(17)10-11-20(18)29-13-16-7-3-5-9-19(16)24/h2-12H,13H2,1H3,(H,25,26,27,28)/b21-12-
InChIKeyCJGJGQUGYQOGGR-MTJSOVHGSA-N
MW420.47 g/mol
LogP4.66
Rot. Bonds4

About N-[(5Z)-5-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide

N-[(5Z)-5-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide (PubChem CID 126033348) has the molecular formula C23H17FN2O3S and a molecular weight of 420.47 g/mol. Its IUPAC name is N-[(5Z)-5-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[(5Z)-5-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide
PubChem CID126033348
Molecular FormulaC23H17FN2O3S
Molecular Weight420.47 g/mol
Exact Mass420.09
IUPAC NameN-[(5Z)-5-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)NC1=NC(=O)/C(=C/c2c(OCc3ccccc3F)ccc3ccccc23)S1
InChIInChI=1S/C23H17FN2O3S/c1-14(27)25-23-26-22(28)21(30-23)12-18-17-8-4-2-6-15(17)10-11-20(18)29-13-16-7-3-5-9-19(16)24/h2-12H,13H2,1H3,(H,25,26,27,28)/b21-12-
InChIKeyCJGJGQUGYQOGGR-MTJSOVHGSA-N
XLogP4.66
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_B(90)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(5Z)-5-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[(5Z)-5-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide (CID 126033348) is N-[(5Z)-5-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[(5Z)-5-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[(5Z)-5-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide is CC(=O)NC1=NC(=O)/C(=C/c2c(OCc3ccccc3F)ccc3ccccc23)S1.
What is the InChIKey of N-[(5Z)-5-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide?
The InChIKey is CJGJGQUGYQOGGR-MTJSOVHGSA-N. The full InChI is InChI=1S/C23H17FN2O3S/c1-14(27)25-23-26-22(28)21(30-23)12-18-17-8-4-2-6-15(17)10-11-20(18)29-13-16-7-3-5-9-19(16)24/h2-12H,13H2,1H3,(H,25,26,27,28)/b21-12-.
What are the key properties of N-[(5Z)-5-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide?
N-[(5Z)-5-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide has a molecular weight of 420.47 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5Z)-5-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 126033348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).