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

C14H16N2OS2 — CID 701623

IUPAC(5Z)-5-[(3-methylthiophen-2-yl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one
SMILESCc1ccsc1/C=C1\SC(N2CCCCC2)=NC1=O
InChIInChI=1S/C14H16N2OS2/c1-10-5-8-18-11(10)9-12-13(17)15-14(19-12)16-6-3-2-4-7-16/h5,8-9H,2-4,6-7H2,1H3/b12-9-
InChIKeyKUIBNELVDWITNF-XFXZXTDPSA-N
MW292.43 g/mol
LogP3.51
Rot. Bonds1

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

(5Z)-5-[(3-methylthiophen-2-yl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one (PubChem CID 701623) has the molecular formula C14H16N2OS2 and a molecular weight of 292.43 g/mol. Its IUPAC name is (5Z)-5-[(3-methylthiophen-2-yl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one.

Molecular Properties

Compound Name(5Z)-5-[(3-methylthiophen-2-yl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one
PubChem CID701623
Molecular FormulaC14H16N2OS2
Molecular Weight292.43 g/mol
Exact Mass292.07
IUPAC Name(5Z)-5-[(3-methylthiophen-2-yl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one
SMILESCc1ccsc1/C=C1\SC(N2CCCCC2)=NC1=O
InChIInChI=1S/C14H16N2OS2/c1-10-5-8-18-11(10)9-12-13(17)15-14(19-12)16-6-3-2-4-7-16/h5,8-9H,2-4,6-7H2,1H3/b12-9-
InChIKeyKUIBNELVDWITNF-XFXZXTDPSA-N
XLogP3.51
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 53.51
H-Bond Donors ≤ 50
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

(E)-2-(4-acetylpiperazin-1-yl)-5-(thiophen-2-ylmethylene)thiazol-4(5H)-one
CID 1586676
(E)-3-(4-(4-oxo-5-(thiophen-2-ylmethylene)-4,5-dihydrothiazol-2-yl)piperazin-1-yl)propanenitrile
CID 5765377
(5Z)-2-(2,6-dimethylmorpholin-4-yl)-5-[(3-methylthiophen-2-yl)methylidene]-1,3-thiazol-4(5H)-one
CID 5920258
(2Z,5Z)-3-ethyl-2-(ethylimino)-5-[(3-methylthien-2-yl)methylene]-1,3-thiazolidin-4-one
CID 5955327
(E)-2-(4-benzylpiperazin-1-yl)-5-(thiophen-2-ylmethylene)thiazol-4(5H)-one
CID 1930229
2-Imino-5-[(3-methyl-2-thienyl)methylene]-1,3-thiazolidin-4-one
CID 1224851
5-[(3-methyl-2-thienyl)methylene]-2-(4-morpholinyl)-1,3-thiazol-4(5H)-one
CID 701648
(5E)-2-(2,6-dimethylmorpholin-4-yl)-5-[(3-methylthien-2-yl)methylene]-1,3-thiazol-4(5H)-one
CID 12005135
(5Z)-2-piperidin-1-yl-5-(thiophen-2-ylmethylidene)-1,3-thiazol-4-one
CID 677356
3-Ethyl-2-ethylimino-5-(3-methyl-thiophen-2-ylmethylene)-thiazolidin-4-one
CID 5292774
5-(3-Methyl-thiophen-2-ylmethylene)-2-morpholin-4-yl-thiazol-4-one
CID 701646
(5Z)-5-[(3-methylthiophen-2-yl)methylidene]-2-(pyrrolidin-1-yl)-1,3-thiazol-4(5H)-one
CID 704685

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(3-methylthiophen-2-yl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one?
The IUPAC name of (5Z)-5-[(3-methylthiophen-2-yl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one (CID 701623) is (5Z)-5-[(3-methylthiophen-2-yl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one.
What is the SMILES notation for (5Z)-5-[(3-methylthiophen-2-yl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one?
The canonical SMILES for (5Z)-5-[(3-methylthiophen-2-yl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one is Cc1ccsc1/C=C1\SC(N2CCCCC2)=NC1=O.
What is the InChIKey of (5Z)-5-[(3-methylthiophen-2-yl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one?
The InChIKey is KUIBNELVDWITNF-XFXZXTDPSA-N. The full InChI is InChI=1S/C14H16N2OS2/c1-10-5-8-18-11(10)9-12-13(17)15-14(19-12)16-6-3-2-4-7-16/h5,8-9H,2-4,6-7H2,1H3/b12-9-.
What are the key properties of (5Z)-5-[(3-methylthiophen-2-yl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one?
(5Z)-5-[(3-methylthiophen-2-yl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one has a molecular weight of 292.43 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(3-methylthiophen-2-yl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one is sourced from PubChem (CID 701623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).