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

C17H12ClNOS — CID 26368018

IUPAC(5Z)-5-[(3-chlorophenyl)methylidene]-2-(4-methylphenyl)-1,3-thiazol-4-one
SMILESCc1ccc(C2=NC(=O)/C(=C/c3cccc(Cl)c3)S2)cc1
InChIInChI=1S/C17H12ClNOS/c1-11-5-7-13(8-6-11)17-19-16(20)15(21-17)10-12-3-2-4-14(18)9-12/h2-10H,1H3/b15-10-
InChIKeyHDAMYDZDGGOCEE-GDNBJRDFSA-N
MW313.81 g/mol
LogP4.71
Rot. Bonds2

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

(5Z)-5-[(3-chlorophenyl)methylidene]-2-(4-methylphenyl)-1,3-thiazol-4-one (PubChem CID 26368018) has the molecular formula C17H12ClNOS and a molecular weight of 313.81 g/mol. Its IUPAC name is (5Z)-5-[(3-chlorophenyl)methylidene]-2-(4-methylphenyl)-1,3-thiazol-4-one.

Molecular Properties

Compound Name(5Z)-5-[(3-chlorophenyl)methylidene]-2-(4-methylphenyl)-1,3-thiazol-4-one
PubChem CID26368018
Molecular FormulaC17H12ClNOS
Molecular Weight313.81 g/mol
Exact Mass313.03
IUPAC Name(5Z)-5-[(3-chlorophenyl)methylidene]-2-(4-methylphenyl)-1,3-thiazol-4-one
SMILESCc1ccc(C2=NC(=O)/C(=C/c3cccc(Cl)c3)S2)cc1
InChIInChI=1S/C17H12ClNOS/c1-11-5-7-13(8-6-11)17-19-16(20)15(21-17)10-12-3-2-4-14(18)9-12/h2-10H,1H3/b15-10-
InChIKeyHDAMYDZDGGOCEE-GDNBJRDFSA-N
XLogP4.71
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.81
LogP ≤ 54.71
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
(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)-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
(5Z)-5-[(4-chlorophenyl)methylidene]-2-phenyl-1,3-thiazol-4-one
CID 164672822
5-[(2-Chloro-6-fluorophenyl)methylidene]-2-phenyl-1,3-thiazol-4-one
CID 869606
(5E)-5-[(2-chloro-6-fluorophenyl)methylidene]-2-phenyl-1,3-thiazol-4-one
CID 1741162
5-(4-methylbenzylidene)-2-(4-methylphenyl)-1,3-thiazol-4(5H)-one
CID 904162
(Z)-4-(4-chlorobenzylidene)-2-phenylthiazol-5(4H)-one
CID 1734179

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(3-chlorophenyl)methylidene]-2-(4-methylphenyl)-1,3-thiazol-4-one?
The IUPAC name of (5Z)-5-[(3-chlorophenyl)methylidene]-2-(4-methylphenyl)-1,3-thiazol-4-one (CID 26368018) is (5Z)-5-[(3-chlorophenyl)methylidene]-2-(4-methylphenyl)-1,3-thiazol-4-one.
What is the SMILES notation for (5Z)-5-[(3-chlorophenyl)methylidene]-2-(4-methylphenyl)-1,3-thiazol-4-one?
The canonical SMILES for (5Z)-5-[(3-chlorophenyl)methylidene]-2-(4-methylphenyl)-1,3-thiazol-4-one is Cc1ccc(C2=NC(=O)/C(=C/c3cccc(Cl)c3)S2)cc1.
What is the InChIKey of (5Z)-5-[(3-chlorophenyl)methylidene]-2-(4-methylphenyl)-1,3-thiazol-4-one?
The InChIKey is HDAMYDZDGGOCEE-GDNBJRDFSA-N. The full InChI is InChI=1S/C17H12ClNOS/c1-11-5-7-13(8-6-11)17-19-16(20)15(21-17)10-12-3-2-4-14(18)9-12/h2-10H,1H3/b15-10-.
What are the key properties of (5Z)-5-[(3-chlorophenyl)methylidene]-2-(4-methylphenyl)-1,3-thiazol-4-one?
(5Z)-5-[(3-chlorophenyl)methylidene]-2-(4-methylphenyl)-1,3-thiazol-4-one has a molecular weight of 313.81 g/mol, XLogP of 4.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(3-chlorophenyl)methylidene]-2-(4-methylphenyl)-1,3-thiazol-4-one is sourced from PubChem (CID 26368018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).