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

C18H15NO2S — CID 6537013

IUPAC(4Z)-4-[(2-methoxyphenyl)methylidene]-2-(4-methylphenyl)-1,3-thiazol-5-one
SMILESCOc1ccccc1/C=C1\N=C(c2ccc(C)cc2)SC1=O
InChIInChI=1S/C18H15NO2S/c1-12-7-9-13(10-8-12)17-19-15(18(20)22-17)11-14-5-3-4-6-16(14)21-2/h3-11H,1-2H3/b15-11-
InChIKeyCOQSTSBPQZAVMU-PTNGSMBKSA-N
MW309.39 g/mol
LogP4.06
Rot. Bonds3

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

(4Z)-4-[(2-methoxyphenyl)methylidene]-2-(4-methylphenyl)-1,3-thiazol-5-one (PubChem CID 6537013) has the molecular formula C18H15NO2S and a molecular weight of 309.39 g/mol. Its IUPAC name is (4Z)-4-[(2-methoxyphenyl)methylidene]-2-(4-methylphenyl)-1,3-thiazol-5-one.

Molecular Properties

Compound Name(4Z)-4-[(2-methoxyphenyl)methylidene]-2-(4-methylphenyl)-1,3-thiazol-5-one
PubChem CID6537013
Molecular FormulaC18H15NO2S
Molecular Weight309.39 g/mol
Exact Mass309.08
IUPAC Name(4Z)-4-[(2-methoxyphenyl)methylidene]-2-(4-methylphenyl)-1,3-thiazol-5-one
SMILESCOc1ccccc1/C=C1\N=C(c2ccc(C)cc2)SC1=O
InChIInChI=1S/C18H15NO2S/c1-12-7-9-13(10-8-12)17-19-15(18(20)22-17)11-14-5-3-4-6-16(14)21-2/h3-11H,1-2H3/b15-11-
InChIKeyCOQSTSBPQZAVMU-PTNGSMBKSA-N
XLogP4.06
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

5-[(2-methoxyphenyl)methylidene]-2-phenyl-1,3-thiazol-4-one
CID 3916048
(4Z)-4-[(2-methoxyphenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one
CID 135517619
4-[[4-[(5-oxo-2-phenyl-1,3-thiazol-4-ylidene)methyl]phenyl]methylidene]-2-phenyl-1,3-thiazol-5-one
CID 3089572
(4Z)-4-[(2-methoxyphenyl)methylidene]-2-(4-phenylphenyl)-1,3-oxazol-5-one
CID 6514787
2-(4-methoxyphenyl)-4-[(2-methoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 3875763
(4Z)-2-(4-methylphenyl)-4-[(3-nitrophenyl)methylidene]-1,3-thiazol-5-one
CID 5293905
(4Z)-2-(4-methoxyphenyl)-4-[(2-methoxyphenyl)methylidene]-1H-imidazol-5-one
CID 136893739
(5Z)-5-[(2-bromo-4,5-dimethoxyphenyl)methylidene]-2-(4-methylphenyl)-1,3-thiazol-4-one
CID 19617457
(4Z)-4-[(2-methoxyphenyl)methylidene]-2-naphthalen-2-yl-1,3-oxazol-5-one
CID 9313262
(4E)-4-[(4-methoxynaphthalen-1-yl)methylidene]-2-methylsulfanyl-1,3-thiazol-5-one
CID 885570
4-[(4-chlorophenyl)methylidene]-2-phenyl-1,3-thiazol-5-one
CID 712140
(6E)-6-[(2-methoxyphenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one
CID 10730056

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[(2-methoxyphenyl)methylidene]-2-(4-methylphenyl)-1,3-thiazol-5-one?
The IUPAC name of (4Z)-4-[(2-methoxyphenyl)methylidene]-2-(4-methylphenyl)-1,3-thiazol-5-one (CID 6537013) is (4Z)-4-[(2-methoxyphenyl)methylidene]-2-(4-methylphenyl)-1,3-thiazol-5-one.
What is the SMILES notation for (4Z)-4-[(2-methoxyphenyl)methylidene]-2-(4-methylphenyl)-1,3-thiazol-5-one?
The canonical SMILES for (4Z)-4-[(2-methoxyphenyl)methylidene]-2-(4-methylphenyl)-1,3-thiazol-5-one is COc1ccccc1/C=C1\N=C(c2ccc(C)cc2)SC1=O.
What is the InChIKey of (4Z)-4-[(2-methoxyphenyl)methylidene]-2-(4-methylphenyl)-1,3-thiazol-5-one?
The InChIKey is COQSTSBPQZAVMU-PTNGSMBKSA-N. The full InChI is InChI=1S/C18H15NO2S/c1-12-7-9-13(10-8-12)17-19-15(18(20)22-17)11-14-5-3-4-6-16(14)21-2/h3-11H,1-2H3/b15-11-.
What are the key properties of (4Z)-4-[(2-methoxyphenyl)methylidene]-2-(4-methylphenyl)-1,3-thiazol-5-one?
(4Z)-4-[(2-methoxyphenyl)methylidene]-2-(4-methylphenyl)-1,3-thiazol-5-one has a molecular weight of 309.39 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[(2-methoxyphenyl)methylidene]-2-(4-methylphenyl)-1,3-thiazol-5-one is sourced from PubChem (CID 6537013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).