4-[(4-chlorophenyl)methylidene]-2-phenyl-1,3-thiazol-5-one

C16H10ClNOS — CID 712140

IUPAC4-[(4-chlorophenyl)methylidene]-2-phenyl-1,3-thiazol-5-one
SMILESO=C1SC(c2ccccc2)=NC1=Cc1ccc(Cl)cc1
InChIInChI=1S/C16H10ClNOS/c17-13-8-6-11(7-9-13)10-14-16(19)20-15(18-14)12-4-2-1-3-5-12/h1-10H
InChIKeyCBKTYDYUGNEVDL-UHFFFAOYSA-N
MW299.78 g/mol
LogP4.40
Rot. Bonds2

About 4-[(4-chlorophenyl)methylidene]-2-phenyl-1,3-thiazol-5-one

4-[(4-chlorophenyl)methylidene]-2-phenyl-1,3-thiazol-5-one (PubChem CID 712140) has the molecular formula C16H10ClNOS and a molecular weight of 299.78 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methylidene]-2-phenyl-1,3-thiazol-5-one.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methylidene]-2-phenyl-1,3-thiazol-5-one
PubChem CID712140
Molecular FormulaC16H10ClNOS
Molecular Weight299.78 g/mol
Exact Mass299.02
IUPAC Name4-[(4-chlorophenyl)methylidene]-2-phenyl-1,3-thiazol-5-one
SMILESO=C1SC(c2ccccc2)=NC1=Cc1ccc(Cl)cc1
InChIInChI=1S/C16H10ClNOS/c17-13-8-6-11(7-9-13)10-14-16(19)20-15(18-14)12-4-2-1-3-5-12/h1-10H
InChIKeyCBKTYDYUGNEVDL-UHFFFAOYSA-N
XLogP4.40
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.78
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_G(10)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

4-[[4-[(5-oxo-2-phenyl-1,3-thiazol-4-ylidene)methyl]phenyl]methylidene]-2-phenyl-1,3-thiazol-5-one
CID 3089572
5-[(4-chlorophenyl)methylidene]-3-methyl-2-phenylimidazol-4-one
CID 71951452
(5Z)-5-[(4-chlorophenyl)methylidene]-3-[2-[(4E)-4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]ethyl]-2-phenylimidazol-4-one
CID 6532748
(5Z)-3-(4-chlorophenyl)-5-[(4-chlorophenyl)methylidene]-2-phenylimidazol-4-one
CID 6014630
(5E)-5-benzylidene-3-[(E)-(4-chlorophenyl)methylideneamino]-2-phenylimidazol-4-one
CID 20845059
(5E)-5-[(4-chlorophenyl)methylidene]-3-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylimidazol-4-one
CID 11188186
(4Z)-4-[(2-methoxyphenyl)methylidene]-2-(4-methylphenyl)-1,3-thiazol-5-one
CID 6537013
(4Z)-2-(4-methylphenyl)-4-[(3-nitrophenyl)methylidene]-1,3-thiazol-5-one
CID 5293905
(5Z)-5-[(4-nitrophenyl)methylidene]-2-phenyl-1,3-thiazol-4-one
CID 2097942
(5E)-5-[(4-chlorophenyl)methylidene]-2-phenyl-3-pyridin-3-yl-1H-1,2,4-triazin-6-one
CID 126963297
(4E)-2-[(E)-2-(4-chlorophenyl)ethenyl]-4-[(4-chlorophenyl)methylidene]-1,3-oxazol-5-one
CID 6534113
(4Z)-2-(2-chloro-5-iodophenyl)-4-[(4-ethoxyphenyl)methylidene]-1,3-thiazol-5-one
CID 22303400

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methylidene]-2-phenyl-1,3-thiazol-5-one?
The IUPAC name of 4-[(4-chlorophenyl)methylidene]-2-phenyl-1,3-thiazol-5-one (CID 712140) is 4-[(4-chlorophenyl)methylidene]-2-phenyl-1,3-thiazol-5-one.
What is the SMILES notation for 4-[(4-chlorophenyl)methylidene]-2-phenyl-1,3-thiazol-5-one?
The canonical SMILES for 4-[(4-chlorophenyl)methylidene]-2-phenyl-1,3-thiazol-5-one is O=C1SC(c2ccccc2)=NC1=Cc1ccc(Cl)cc1.
What is the InChIKey of 4-[(4-chlorophenyl)methylidene]-2-phenyl-1,3-thiazol-5-one?
The InChIKey is CBKTYDYUGNEVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClNOS/c17-13-8-6-11(7-9-13)10-14-16(19)20-15(18-14)12-4-2-1-3-5-12/h1-10H.
What are the key properties of 4-[(4-chlorophenyl)methylidene]-2-phenyl-1,3-thiazol-5-one?
4-[(4-chlorophenyl)methylidene]-2-phenyl-1,3-thiazol-5-one has a molecular weight of 299.78 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methylidene]-2-phenyl-1,3-thiazol-5-one is sourced from PubChem (CID 712140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).