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

C17H20N2OS — CID 8815074

IUPAC(5Z)-5-[(2,4-dimethylphenyl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one
SMILESCc1ccc(/C=C2\SC(N3CCCCC3)=NC2=O)c(C)c1
InChIInChI=1S/C17H20N2OS/c1-12-6-7-14(13(2)10-12)11-15-16(20)18-17(21-15)19-8-4-3-5-9-19/h6-7,10-11H,3-5,8-9H2,1-2H3/b15-11-
InChIKeyZDWSAKALMRSMSC-PTNGSMBKSA-N
MW300.43 g/mol
LogP3.76
Rot. Bonds1

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

(5Z)-5-[(2,4-dimethylphenyl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one (PubChem CID 8815074) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is (5Z)-5-[(2,4-dimethylphenyl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one.

Molecular Properties

Compound Name(5Z)-5-[(2,4-dimethylphenyl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one
PubChem CID8815074
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name(5Z)-5-[(2,4-dimethylphenyl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one
SMILESCc1ccc(/C=C2\SC(N3CCCCC3)=NC2=O)c(C)c1
InChIInChI=1S/C17H20N2OS/c1-12-6-7-14(13(2)10-12)11-15-16(20)18-17(21-15)19-8-4-3-5-9-19/h6-7,10-11H,3-5,8-9H2,1-2H3/b15-11-
InChIKeyZDWSAKALMRSMSC-PTNGSMBKSA-N
XLogP3.76
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[(2,4-dimethylphenyl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one?
The IUPAC name of (5Z)-5-[(2,4-dimethylphenyl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one (CID 8815074) is (5Z)-5-[(2,4-dimethylphenyl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one.
What is the SMILES notation for (5Z)-5-[(2,4-dimethylphenyl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one?
The canonical SMILES for (5Z)-5-[(2,4-dimethylphenyl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one is Cc1ccc(/C=C2\SC(N3CCCCC3)=NC2=O)c(C)c1.
What is the InChIKey of (5Z)-5-[(2,4-dimethylphenyl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one?
The InChIKey is ZDWSAKALMRSMSC-PTNGSMBKSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-12-6-7-14(13(2)10-12)11-15-16(20)18-17(21-15)19-8-4-3-5-9-19/h6-7,10-11H,3-5,8-9H2,1-2H3/b15-11-.
What are the key properties of (5Z)-5-[(2,4-dimethylphenyl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one?
(5Z)-5-[(2,4-dimethylphenyl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one has a molecular weight of 300.43 g/mol, XLogP of 3.76, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(2,4-dimethylphenyl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one is sourced from PubChem (CID 8815074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).