(5Z)-5-benzylidene-2-phenyl-1,3-thiazol-4-one

C16H11NOS — CID 749733

IUPAC(5Z)-5-benzylidene-2-phenyl-1,3-thiazol-4-one
SMILESO=C1N=C(c2ccccc2)S/C1=C\c1ccccc1
InChIInChI=1S/C16H11NOS/c18-15-14(11-12-7-3-1-4-8-12)19-16(17-15)13-9-5-2-6-10-13/h1-11H/b14-11-
InChIKeyKKEFLNHDPALKGC-KAMYIIQDSA-N
MW265.34 g/mol
LogP3.75
Rot. Bonds2

About (5Z)-5-benzylidene-2-phenyl-1,3-thiazol-4-one

(5Z)-5-benzylidene-2-phenyl-1,3-thiazol-4-one (PubChem CID 749733) has the molecular formula C16H11NOS and a molecular weight of 265.34 g/mol. Its IUPAC name is (5Z)-5-benzylidene-2-phenyl-1,3-thiazol-4-one.

Molecular Properties

Compound Name(5Z)-5-benzylidene-2-phenyl-1,3-thiazol-4-one
PubChem CID749733
Molecular FormulaC16H11NOS
Molecular Weight265.34 g/mol
Exact Mass265.06
IUPAC Name(5Z)-5-benzylidene-2-phenyl-1,3-thiazol-4-one
SMILESO=C1N=C(c2ccccc2)S/C1=C\c1ccccc1
InChIInChI=1S/C16H11NOS/c18-15-14(11-12-7-3-1-4-8-12)19-16(17-15)13-9-5-2-6-10-13/h1-11H/b14-11-
InChIKeyKKEFLNHDPALKGC-KAMYIIQDSA-N
XLogP3.75
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 53.75
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-(4-tert-butylbenzylidene)-2-phenylthiazol-4(5H)-one
CID 1225140
5-benzylidene-2-p-tolylthiazol-4(5H)-one
CID 5455586
5-(3-chlorobenzylidene)-2-p-tolylthiazol-4(5H)-one
CID 26368018
methyl (E)-3-[4-[(Z)-[2-(4-methylphenyl)-4-oxo-1,3-thiazol-5-ylidene]methyl]phenyl]prop-2-enoate
CID 118719672
2-Phenylthiazol-4-one
CID 2748720
Cinnamamide, alpha-(benzylthio)-
CID 6435251
2-Phenyl-4-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazol-5-one
CID 2737952
(5E)-5-[(2-fluorophenyl)methylidene]-2-phenyl-1,3-thiazol-4-one
CID 5403197
(4E)-2-phenyl-4-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazol-5-one
CID 5702942
2-phenyl-4H-1,3-thiazine-4,6(5H)-dione
CID 1114649
5-(2-chloro-6-fluorobenzylidene)-2-phenyl-1,3-thiazol-4(5H)-one
CID 1741161

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-benzylidene-2-phenyl-1,3-thiazol-4-one?
The IUPAC name of (5Z)-5-benzylidene-2-phenyl-1,3-thiazol-4-one (CID 749733) is (5Z)-5-benzylidene-2-phenyl-1,3-thiazol-4-one.
What is the SMILES notation for (5Z)-5-benzylidene-2-phenyl-1,3-thiazol-4-one?
The canonical SMILES for (5Z)-5-benzylidene-2-phenyl-1,3-thiazol-4-one is O=C1N=C(c2ccccc2)S/C1=C\c1ccccc1.
What is the InChIKey of (5Z)-5-benzylidene-2-phenyl-1,3-thiazol-4-one?
The InChIKey is KKEFLNHDPALKGC-KAMYIIQDSA-N. The full InChI is InChI=1S/C16H11NOS/c18-15-14(11-12-7-3-1-4-8-12)19-16(17-15)13-9-5-2-6-10-13/h1-11H/b14-11-.
What are the key properties of (5Z)-5-benzylidene-2-phenyl-1,3-thiazol-4-one?
(5Z)-5-benzylidene-2-phenyl-1,3-thiazol-4-one has a molecular weight of 265.34 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-benzylidene-2-phenyl-1,3-thiazol-4-one is sourced from PubChem (CID 749733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).