(5Z)-5-[(4-hydroxyphenyl)methylidene]-2-methylsulfanyl-1,3-thiazol-4-one

C11H9NO2S2 — CID 11075920

IUPAC(5Z)-5-[(4-hydroxyphenyl)methylidene]-2-methylsulfanyl-1,3-thiazol-4-one
SMILESCSC1=NC(=O)/C(=C/c2ccc(O)cc2)S1
InChIInChI=1S/C11H9NO2S2/c1-15-11-12-10(14)9(16-11)6-7-2-4-8(13)5-3-7/h2-6,13H,1H3/b9-6-
InChIKeyJHFVKLINWAURHV-TWGQIWQCSA-N
MW251.33 g/mol
LogP2.73
Rot. Bonds1

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

(5Z)-5-[(4-hydroxyphenyl)methylidene]-2-methylsulfanyl-1,3-thiazol-4-one (PubChem CID 11075920) has the molecular formula C11H9NO2S2 and a molecular weight of 251.33 g/mol. Its IUPAC name is (5Z)-5-[(4-hydroxyphenyl)methylidene]-2-methylsulfanyl-1,3-thiazol-4-one.

Molecular Properties

Compound Name(5Z)-5-[(4-hydroxyphenyl)methylidene]-2-methylsulfanyl-1,3-thiazol-4-one
PubChem CID11075920
Molecular FormulaC11H9NO2S2
Molecular Weight251.33 g/mol
Exact Mass251.01
IUPAC Name(5Z)-5-[(4-hydroxyphenyl)methylidene]-2-methylsulfanyl-1,3-thiazol-4-one
SMILESCSC1=NC(=O)/C(=C/c2ccc(O)cc2)S1
InChIInChI=1S/C11H9NO2S2/c1-15-11-12-10(14)9(16-11)6-7-2-4-8(13)5-3-7/h2-6,13H,1H3/b9-6-
InChIKeyJHFVKLINWAURHV-TWGQIWQCSA-N
XLogP2.73
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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)-5-[(4-hydroxy-3,5-diiodophenyl)methylidene]-2-methylsulfanyl-1,3-thiazol-4-one
CID 10577413
(5Z)-5-[[4-[(4-methylphenoxy)methyl]phenyl]methylidene]-2-methylsulfanyl-1,3-thiazol-4-one
CID 68896273
(5E)-2-methylsulfanyl-5-(quinoxalin-6-ylmethylidene)-1,3-thiazol-4-one
CID 69254000
(5Z)-5-[(3-fluorophenyl)methylidene]-2-methylsulfanyl-1,3-thiazol-4-one
CID 125477626
(5Z)-5-[[4-[(3-fluoro-4-methylphenyl)methoxy]phenyl]methylidene]-2-methylsulfanyl-1,3-thiazol-4-one
CID 68893528
5-[[4-(2,3-dihydro-1H-inden-5-ylmethoxy)phenyl]methylidene]-2-methylsulfanyl-1,3-thiazol-4-one
CID 68895772
(5Z)-5-[(4-methylphenyl)methylidene]-2-propan-2-ylsulfanyl-1,3-thiazol-4-one
CID 70987066
(5E)-5-[[4-[(5-tert-butyl-1,3-oxazol-2-yl)methoxy]phenyl]methylidene]-2-methylsulfanyl-1,3-thiazol-4-one
CID 68894916
(5E)-2-(azepan-1-yl)-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazol-4-one
CID 695230
5-[[4-[(N-methyl-4-propan-2-ylanilino)methyl]phenyl]methylidene]-2-methylsulfanyl-1,3-thiazol-4-one
CID 68893555
5-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methylidene]-2-methylsulfanyl-1,3-thiazol-4-one
CID 91468802
(5Z)-5-[(3,5-dibromo-4-fluoro-2-hydroxyphenyl)methylidene]-2-methylsulfanyl-1,3-thiazol-4-one;ethane
CID 143842472

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(4-hydroxyphenyl)methylidene]-2-methylsulfanyl-1,3-thiazol-4-one?
The IUPAC name of (5Z)-5-[(4-hydroxyphenyl)methylidene]-2-methylsulfanyl-1,3-thiazol-4-one (CID 11075920) is (5Z)-5-[(4-hydroxyphenyl)methylidene]-2-methylsulfanyl-1,3-thiazol-4-one.
What is the SMILES notation for (5Z)-5-[(4-hydroxyphenyl)methylidene]-2-methylsulfanyl-1,3-thiazol-4-one?
The canonical SMILES for (5Z)-5-[(4-hydroxyphenyl)methylidene]-2-methylsulfanyl-1,3-thiazol-4-one is CSC1=NC(=O)/C(=C/c2ccc(O)cc2)S1.
What is the InChIKey of (5Z)-5-[(4-hydroxyphenyl)methylidene]-2-methylsulfanyl-1,3-thiazol-4-one?
The InChIKey is JHFVKLINWAURHV-TWGQIWQCSA-N. The full InChI is InChI=1S/C11H9NO2S2/c1-15-11-12-10(14)9(16-11)6-7-2-4-8(13)5-3-7/h2-6,13H,1H3/b9-6-.
What are the key properties of (5Z)-5-[(4-hydroxyphenyl)methylidene]-2-methylsulfanyl-1,3-thiazol-4-one?
(5Z)-5-[(4-hydroxyphenyl)methylidene]-2-methylsulfanyl-1,3-thiazol-4-one has a molecular weight of 251.33 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(4-hydroxyphenyl)methylidene]-2-methylsulfanyl-1,3-thiazol-4-one is sourced from PubChem (CID 11075920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).