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

C14H14N2O2S — CID 702105

IUPAC(5Z)-5-[(2-hydroxyphenyl)methylidene]-2-pyrrolidin-1-yl-1,3-thiazol-4-one
SMILESO=C1N=C(N2CCCC2)S/C1=C\c1ccccc1O
InChIInChI=1S/C14H14N2O2S/c17-11-6-2-1-5-10(11)9-12-13(18)15-14(19-12)16-7-3-4-8-16/h1-2,5-6,9,17H,3-4,7-8H2/b12-9-
InChIKeyILHRMOKBPRPPSM-XFXZXTDPSA-N
MW274.34 g/mol
LogP2.46
Rot. Bonds1

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

(5Z)-5-[(2-hydroxyphenyl)methylidene]-2-pyrrolidin-1-yl-1,3-thiazol-4-one (PubChem CID 702105) has the molecular formula C14H14N2O2S and a molecular weight of 274.34 g/mol. Its IUPAC name is (5Z)-5-[(2-hydroxyphenyl)methylidene]-2-pyrrolidin-1-yl-1,3-thiazol-4-one.

Molecular Properties

Compound Name(5Z)-5-[(2-hydroxyphenyl)methylidene]-2-pyrrolidin-1-yl-1,3-thiazol-4-one
PubChem CID702105
Molecular FormulaC14H14N2O2S
Molecular Weight274.34 g/mol
Exact Mass274.08
IUPAC Name(5Z)-5-[(2-hydroxyphenyl)methylidene]-2-pyrrolidin-1-yl-1,3-thiazol-4-one
SMILESO=C1N=C(N2CCCC2)S/C1=C\c1ccccc1O
InChIInChI=1S/C14H14N2O2S/c17-11-6-2-1-5-10(11)9-12-13(18)15-14(19-12)16-7-3-4-8-16/h1-2,5-6,9,17H,3-4,7-8H2/b12-9-
InChIKeyILHRMOKBPRPPSM-XFXZXTDPSA-N
XLogP2.46
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 52.46
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)-5-[(2-hydroxyphenyl)methylidene]-2-pyrrolidin-1-yl-1,3-thiazol-4-one?
The IUPAC name of (5Z)-5-[(2-hydroxyphenyl)methylidene]-2-pyrrolidin-1-yl-1,3-thiazol-4-one (CID 702105) is (5Z)-5-[(2-hydroxyphenyl)methylidene]-2-pyrrolidin-1-yl-1,3-thiazol-4-one.
What is the SMILES notation for (5Z)-5-[(2-hydroxyphenyl)methylidene]-2-pyrrolidin-1-yl-1,3-thiazol-4-one?
The canonical SMILES for (5Z)-5-[(2-hydroxyphenyl)methylidene]-2-pyrrolidin-1-yl-1,3-thiazol-4-one is O=C1N=C(N2CCCC2)S/C1=C\c1ccccc1O.
What is the InChIKey of (5Z)-5-[(2-hydroxyphenyl)methylidene]-2-pyrrolidin-1-yl-1,3-thiazol-4-one?
The InChIKey is ILHRMOKBPRPPSM-XFXZXTDPSA-N. The full InChI is InChI=1S/C14H14N2O2S/c17-11-6-2-1-5-10(11)9-12-13(18)15-14(19-12)16-7-3-4-8-16/h1-2,5-6,9,17H,3-4,7-8H2/b12-9-.
What are the key properties of (5Z)-5-[(2-hydroxyphenyl)methylidene]-2-pyrrolidin-1-yl-1,3-thiazol-4-one?
(5Z)-5-[(2-hydroxyphenyl)methylidene]-2-pyrrolidin-1-yl-1,3-thiazol-4-one has a molecular weight of 274.34 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(2-hydroxyphenyl)methylidene]-2-pyrrolidin-1-yl-1,3-thiazol-4-one is sourced from PubChem (CID 702105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).