(5Z)-2-piperidin-1-yl-5-(thiophen-2-ylmethylidene)-1,3-thiazol-4-one

C13H14N2OS2 — CID 677356

IUPAC(5Z)-2-piperidin-1-yl-5-(thiophen-2-ylmethylidene)-1,3-thiazol-4-one
SMILESO=C1N=C(N2CCCCC2)S/C1=C\c1cccs1
InChIInChI=1S/C13H14N2OS2/c16-12-11(9-10-5-4-8-17-10)18-13(14-12)15-6-2-1-3-7-15/h4-5,8-9H,1-3,6-7H2/b11-9-
InChIKeyGSZMJCGZXNPMRE-LUAWRHEFSA-N
MW278.40 g/mol
LogP3.20
Rot. Bonds1

About (5Z)-2-piperidin-1-yl-5-(thiophen-2-ylmethylidene)-1,3-thiazol-4-one

(5Z)-2-piperidin-1-yl-5-(thiophen-2-ylmethylidene)-1,3-thiazol-4-one (PubChem CID 677356) has the molecular formula C13H14N2OS2 and a molecular weight of 278.40 g/mol. Its IUPAC name is (5Z)-2-piperidin-1-yl-5-(thiophen-2-ylmethylidene)-1,3-thiazol-4-one.

Molecular Properties

Compound Name(5Z)-2-piperidin-1-yl-5-(thiophen-2-ylmethylidene)-1,3-thiazol-4-one
PubChem CID677356
Molecular FormulaC13H14N2OS2
Molecular Weight278.40 g/mol
Exact Mass278.05
IUPAC Name(5Z)-2-piperidin-1-yl-5-(thiophen-2-ylmethylidene)-1,3-thiazol-4-one
SMILESO=C1N=C(N2CCCCC2)S/C1=C\c1cccs1
InChIInChI=1S/C13H14N2OS2/c16-12-11(9-10-5-4-8-17-10)18-13(14-12)15-6-2-1-3-7-15/h4-5,8-9H,1-3,6-7H2/b11-9-
InChIKeyGSZMJCGZXNPMRE-LUAWRHEFSA-N
XLogP3.20
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.20
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

(5Z)-2-(morpholin-4-yl)-5-(thiophen-2-ylmethylidene)-1,3-thiazol-4(5H)-one
CID 691379
(E)-2-(4-acetylpiperazin-1-yl)-5-(thiophen-2-ylmethylene)thiazol-4(5H)-one
CID 1586676
2-(4-morpholinyl)-5-(2-thienylmethylene)-1,3-thiazol-4(5H)-one
CID 691378
1-[3-(2-Thienyl)acryloyl]piperidine
CID 896101
(E)-3-(4-(4-oxo-5-(thiophen-2-ylmethylene)-4,5-dihydrothiazol-2-yl)piperazin-1-yl)propanenitrile
CID 5765377
2-Imino-5-[3-(2-thienyl)-2-propenylidene]-1,3-thiazolidin-4-one
CID 1221084
(2E,4E)-1-piperidin-1-yl-5-thiophen-2-ylpenta-2,4-dien-1-one
CID 138971052
(5Z)-5-[(3-methylthiophen-2-yl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one
CID 701623
(5Z)-5-[(3-methylthiophen-2-yl)methylidene]-2-(pyrrolidin-1-yl)-1,3-thiazol-4(5H)-one
CID 704685
1-[(5Z)-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 2173912
(5Z)-2-(4-methylpiperazin-1-yl)-5-(thiophen-2-ylmethylidene)-1,3-thiazol-4-one
CID 2716862
2-(4-methyl-1-piperidinyl)-5-(2-thienylmethylene)-1,3-thiazol-4(5H)-one
CID 5286753

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-piperidin-1-yl-5-(thiophen-2-ylmethylidene)-1,3-thiazol-4-one?
The IUPAC name of (5Z)-2-piperidin-1-yl-5-(thiophen-2-ylmethylidene)-1,3-thiazol-4-one (CID 677356) is (5Z)-2-piperidin-1-yl-5-(thiophen-2-ylmethylidene)-1,3-thiazol-4-one.
What is the SMILES notation for (5Z)-2-piperidin-1-yl-5-(thiophen-2-ylmethylidene)-1,3-thiazol-4-one?
The canonical SMILES for (5Z)-2-piperidin-1-yl-5-(thiophen-2-ylmethylidene)-1,3-thiazol-4-one is O=C1N=C(N2CCCCC2)S/C1=C\c1cccs1.
What is the InChIKey of (5Z)-2-piperidin-1-yl-5-(thiophen-2-ylmethylidene)-1,3-thiazol-4-one?
The InChIKey is GSZMJCGZXNPMRE-LUAWRHEFSA-N. The full InChI is InChI=1S/C13H14N2OS2/c16-12-11(9-10-5-4-8-17-10)18-13(14-12)15-6-2-1-3-7-15/h4-5,8-9H,1-3,6-7H2/b11-9-.
What are the key properties of (5Z)-2-piperidin-1-yl-5-(thiophen-2-ylmethylidene)-1,3-thiazol-4-one?
(5Z)-2-piperidin-1-yl-5-(thiophen-2-ylmethylidene)-1,3-thiazol-4-one has a molecular weight of 278.40 g/mol, XLogP of 3.20, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-piperidin-1-yl-5-(thiophen-2-ylmethylidene)-1,3-thiazol-4-one is sourced from PubChem (CID 677356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).