5-(naphthalen-2-ylmethylidene)-2-phenyl-1,3-thiazol-4-one

C20H13NOS — CID 788766

IUPAC5-(naphthalen-2-ylmethylidene)-2-phenyl-1,3-thiazol-4-one
SMILESO=C1N=C(c2ccccc2)SC1=Cc1ccc2ccccc2c1
InChIInChI=1S/C20H13NOS/c22-19-18(23-20(21-19)16-7-2-1-3-8-16)13-14-10-11-15-6-4-5-9-17(15)12-14/h1-13H
InChIKeyXASVKZMZIKLRQM-UHFFFAOYSA-N
MW315.40 g/mol
LogP4.90
Rot. Bonds2

About 5-(naphthalen-2-ylmethylidene)-2-phenyl-1,3-thiazol-4-one

5-(naphthalen-2-ylmethylidene)-2-phenyl-1,3-thiazol-4-one (PubChem CID 788766) has the molecular formula C20H13NOS and a molecular weight of 315.40 g/mol. Its IUPAC name is 5-(naphthalen-2-ylmethylidene)-2-phenyl-1,3-thiazol-4-one.

Molecular Properties

Compound Name5-(naphthalen-2-ylmethylidene)-2-phenyl-1,3-thiazol-4-one
PubChem CID788766
Molecular FormulaC20H13NOS
Molecular Weight315.40 g/mol
Exact Mass315.07
IUPAC Name5-(naphthalen-2-ylmethylidene)-2-phenyl-1,3-thiazol-4-one
SMILESO=C1N=C(c2ccccc2)SC1=Cc1ccc2ccccc2c1
InChIInChI=1S/C20H13NOS/c22-19-18(23-20(21-19)16-7-2-1-3-8-16)13-14-10-11-15-6-4-5-9-17(15)12-14/h1-13H
InChIKeyXASVKZMZIKLRQM-UHFFFAOYSA-N
XLogP4.90
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Related Compounds

(5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-2-phenyl-1,3-thiazol-4-one
CID 7206300
(5E)-5-(anthracen-9-ylmethylidene)-2-phenyl-1,3-thiazol-4-one
CID 2281221
(5Z)-5-(anthracen-9-ylmethylidene)-2-phenyl-1,3-thiazol-4-one
CID 2281220
(5Z)-5-[(4-nitrophenyl)methylidene]-2-phenyl-1,3-thiazol-4-one
CID 2097942
(5Z)-5-[(4-methoxyphenyl)methylidene]-2-(4-methylphenyl)-1,3-thiazol-4-one
CID 5411248
5-[(2-methylphenyl)methylidene]-2-phenyl-1,3-thiazol-4-one
CID 175143349
(5Z)-5-(anthracen-9-ylmethylidene)-2-(4-methylphenyl)-1,3-thiazol-4-one
CID 26368017
(5Z)-5-[(5-iodofuran-2-yl)methylidene]-2-phenyl-1,3-thiazol-4-one
CID 5377235
5-[(2-methoxyphenyl)methylidene]-2-phenyl-1,3-thiazol-4-one
CID 3916048
(5E)-5-[(3-methylthiophen-2-yl)methylidene]-2-phenyl-1,3-thiazol-4-one
CID 750679
(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-2-(4-methylphenyl)-1,3-thiazol-4-one
CID 2253206
(5Z)-5-[(4-methoxyphenyl)methylidene]-2-(4-propoxyphenyl)-1,3-thiazol-4-one
CID 70681522

Frequently Asked Questions

What is the IUPAC name of 5-(naphthalen-2-ylmethylidene)-2-phenyl-1,3-thiazol-4-one?
The IUPAC name of 5-(naphthalen-2-ylmethylidene)-2-phenyl-1,3-thiazol-4-one (CID 788766) is 5-(naphthalen-2-ylmethylidene)-2-phenyl-1,3-thiazol-4-one.
What is the SMILES notation for 5-(naphthalen-2-ylmethylidene)-2-phenyl-1,3-thiazol-4-one?
The canonical SMILES for 5-(naphthalen-2-ylmethylidene)-2-phenyl-1,3-thiazol-4-one is O=C1N=C(c2ccccc2)SC1=Cc1ccc2ccccc2c1.
What is the InChIKey of 5-(naphthalen-2-ylmethylidene)-2-phenyl-1,3-thiazol-4-one?
The InChIKey is XASVKZMZIKLRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13NOS/c22-19-18(23-20(21-19)16-7-2-1-3-8-16)13-14-10-11-15-6-4-5-9-17(15)12-14/h1-13H.
What are the key properties of 5-(naphthalen-2-ylmethylidene)-2-phenyl-1,3-thiazol-4-one?
5-(naphthalen-2-ylmethylidene)-2-phenyl-1,3-thiazol-4-one has a molecular weight of 315.40 g/mol, XLogP of 4.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(naphthalen-2-ylmethylidene)-2-phenyl-1,3-thiazol-4-one is sourced from PubChem (CID 788766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).