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

C16H10ClNOS — CID 164672822

IUPAC(5Z)-5-[(4-chlorophenyl)methylidene]-2-phenyl-1,3-thiazol-4-one
SMILESO=C1N=C(c2ccccc2)S/C1=C\c1ccc(Cl)cc1
InChIInChI=1S/C16H10ClNOS/c17-13-8-6-11(7-9-13)10-14-15(19)18-16(20-14)12-4-2-1-3-5-12/h1-10H/b14-10-
InChIKeyLOMGWMYUUSVRTL-UVTDQMKNSA-N
MW299.78 g/mol
LogP4.40
Rot. Bonds2

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

(5Z)-5-[(4-chlorophenyl)methylidene]-2-phenyl-1,3-thiazol-4-one (PubChem CID 164672822) has the molecular formula C16H10ClNOS and a molecular weight of 299.78 g/mol. Its IUPAC name is (5Z)-5-[(4-chlorophenyl)methylidene]-2-phenyl-1,3-thiazol-4-one.

Molecular Properties

Compound Name(5Z)-5-[(4-chlorophenyl)methylidene]-2-phenyl-1,3-thiazol-4-one
PubChem CID164672822
Molecular FormulaC16H10ClNOS
Molecular Weight299.78 g/mol
Exact Mass299.02
IUPAC Name(5Z)-5-[(4-chlorophenyl)methylidene]-2-phenyl-1,3-thiazol-4-one
SMILESO=C1N=C(c2ccccc2)S/C1=C\c1ccc(Cl)cc1
InChIInChI=1S/C16H10ClNOS/c17-13-8-6-11(7-9-13)10-14-15(19)18-16(20-14)12-4-2-1-3-5-12/h1-10H/b14-10-
InChIKeyLOMGWMYUUSVRTL-UVTDQMKNSA-N
XLogP4.40
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
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 ≤ 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)-2-(4-methylphenyl)-5-[(2E)-3-phenylprop-2-en-1-ylidene]-1,3-thiazol-4(5H)-one
CID 2718951
5-benzylidene-2-p-tolylthiazol-4(5H)-one
CID 5455586
5-(3-chlorobenzylidene)-2-p-tolylthiazol-4(5H)-one
CID 26368018
(5E)-5-[(2-fluorophenyl)methylidene]-2-phenyl-1,3-thiazol-4-one
CID 5403197
(5z)-5-Benzylidene-2-phenyl-1,3-thiazol-4(5h)-one
CID 749733
5-(2-chloro-6-fluorobenzylidene)-2-phenyl-1,3-thiazol-4(5H)-one
CID 1741161
(5Z)-5-(2-fluorobenzylidene)-2-phenyl-1,3-thiazol-4(5H)-one
CID 5752495
(5Z)-5-[(4-fluorophenyl)methylidene]-2-phenyl-1,3-thiazol-4-one
CID 164672821
(5Z)-2-Phenyl-5-(phenylmethylene)-4(5H)-thiazolone
CID 2835023
(5Z)-5-(4-methylbenzylidene)-2-phenyl-1,3-thiazol-4(5H)-one
CID 7038524
(5Z)-5-[(2-chlorophenyl)methylidene]-2-phenyl-1,3-thiazol-4-one
CID 141758683
5-[(2-Fluorophenyl)methylidene]-2-phenyl-1,3-thiazol-4-one
CID 762406

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(4-chlorophenyl)methylidene]-2-phenyl-1,3-thiazol-4-one?
The IUPAC name of (5Z)-5-[(4-chlorophenyl)methylidene]-2-phenyl-1,3-thiazol-4-one (CID 164672822) is (5Z)-5-[(4-chlorophenyl)methylidene]-2-phenyl-1,3-thiazol-4-one.
What is the SMILES notation for (5Z)-5-[(4-chlorophenyl)methylidene]-2-phenyl-1,3-thiazol-4-one?
The canonical SMILES for (5Z)-5-[(4-chlorophenyl)methylidene]-2-phenyl-1,3-thiazol-4-one is O=C1N=C(c2ccccc2)S/C1=C\c1ccc(Cl)cc1.
What is the InChIKey of (5Z)-5-[(4-chlorophenyl)methylidene]-2-phenyl-1,3-thiazol-4-one?
The InChIKey is LOMGWMYUUSVRTL-UVTDQMKNSA-N. The full InChI is InChI=1S/C16H10ClNOS/c17-13-8-6-11(7-9-13)10-14-15(19)18-16(20-14)12-4-2-1-3-5-12/h1-10H/b14-10-.
What are the key properties of (5Z)-5-[(4-chlorophenyl)methylidene]-2-phenyl-1,3-thiazol-4-one?
(5Z)-5-[(4-chlorophenyl)methylidene]-2-phenyl-1,3-thiazol-4-one has a molecular weight of 299.78 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(4-chlorophenyl)methylidene]-2-phenyl-1,3-thiazol-4-one is sourced from PubChem (CID 164672822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).