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

C12H11FN2O2S — CID 70954084

IUPAC(5Z)-2-(dimethylamino)-5-[(5-fluoro-2-hydroxyphenyl)methylidene]-1,3-thiazol-4-one
SMILESCN(C)C1=NC(=O)/C(=C/c2cc(F)ccc2O)S1
InChIInChI=1S/C12H11FN2O2S/c1-15(2)12-14-11(17)10(18-12)6-7-5-8(13)3-4-9(7)16/h3-6,16H,1-2H3/b10-6-
InChIKeyWRTWOXFCIMWXSP-POHAHGRESA-N
MW266.30 g/mol
LogP2.06
Rot. Bonds1

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

(5Z)-2-(dimethylamino)-5-[(5-fluoro-2-hydroxyphenyl)methylidene]-1,3-thiazol-4-one (PubChem CID 70954084) has the molecular formula C12H11FN2O2S and a molecular weight of 266.30 g/mol. Its IUPAC name is (5Z)-2-(dimethylamino)-5-[(5-fluoro-2-hydroxyphenyl)methylidene]-1,3-thiazol-4-one.

Molecular Properties

Compound Name(5Z)-2-(dimethylamino)-5-[(5-fluoro-2-hydroxyphenyl)methylidene]-1,3-thiazol-4-one
PubChem CID70954084
Molecular FormulaC12H11FN2O2S
Molecular Weight266.30 g/mol
Exact Mass266.05
IUPAC Name(5Z)-2-(dimethylamino)-5-[(5-fluoro-2-hydroxyphenyl)methylidene]-1,3-thiazol-4-one
SMILESCN(C)C1=NC(=O)/C(=C/c2cc(F)ccc2O)S1
InChIInChI=1S/C12H11FN2O2S/c1-15(2)12-14-11(17)10(18-12)6-7-5-8(13)3-4-9(7)16/h3-6,16H,1-2H3/b10-6-
InChIKeyWRTWOXFCIMWXSP-POHAHGRESA-N
XLogP2.06
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.06
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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Frequently Asked Questions

What is the IUPAC name of (5Z)-2-(dimethylamino)-5-[(5-fluoro-2-hydroxyphenyl)methylidene]-1,3-thiazol-4-one?
The IUPAC name of (5Z)-2-(dimethylamino)-5-[(5-fluoro-2-hydroxyphenyl)methylidene]-1,3-thiazol-4-one (CID 70954084) is (5Z)-2-(dimethylamino)-5-[(5-fluoro-2-hydroxyphenyl)methylidene]-1,3-thiazol-4-one.
What is the SMILES notation for (5Z)-2-(dimethylamino)-5-[(5-fluoro-2-hydroxyphenyl)methylidene]-1,3-thiazol-4-one?
The canonical SMILES for (5Z)-2-(dimethylamino)-5-[(5-fluoro-2-hydroxyphenyl)methylidene]-1,3-thiazol-4-one is CN(C)C1=NC(=O)/C(=C/c2cc(F)ccc2O)S1.
What is the InChIKey of (5Z)-2-(dimethylamino)-5-[(5-fluoro-2-hydroxyphenyl)methylidene]-1,3-thiazol-4-one?
The InChIKey is WRTWOXFCIMWXSP-POHAHGRESA-N. The full InChI is InChI=1S/C12H11FN2O2S/c1-15(2)12-14-11(17)10(18-12)6-7-5-8(13)3-4-9(7)16/h3-6,16H,1-2H3/b10-6-.
What are the key properties of (5Z)-2-(dimethylamino)-5-[(5-fluoro-2-hydroxyphenyl)methylidene]-1,3-thiazol-4-one?
(5Z)-2-(dimethylamino)-5-[(5-fluoro-2-hydroxyphenyl)methylidene]-1,3-thiazol-4-one has a molecular weight of 266.30 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-(dimethylamino)-5-[(5-fluoro-2-hydroxyphenyl)methylidene]-1,3-thiazol-4-one is sourced from PubChem (CID 70954084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).