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

C13H14N2OS2 — CID 677355

IUPAC(5E)-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-PKNBQFBNSA-N
MW278.40 g/mol
LogP3.20
Rot. Bonds1

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

(5E)-2-piperidin-1-yl-5-(thiophen-2-ylmethylidene)-1,3-thiazol-4-one (PubChem CID 677355) has the molecular formula C13H14N2OS2 and a molecular weight of 278.40 g/mol. Its IUPAC name is (5E)-2-piperidin-1-yl-5-(thiophen-2-ylmethylidene)-1,3-thiazol-4-one.

Molecular Properties

Compound Name(5E)-2-piperidin-1-yl-5-(thiophen-2-ylmethylidene)-1,3-thiazol-4-one
PubChem CID677355
Molecular FormulaC13H14N2OS2
Molecular Weight278.40 g/mol
Exact Mass278.05
IUPAC Name(5E)-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-PKNBQFBNSA-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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Frequently Asked Questions

What is the IUPAC name of (5E)-2-piperidin-1-yl-5-(thiophen-2-ylmethylidene)-1,3-thiazol-4-one?
The IUPAC name of (5E)-2-piperidin-1-yl-5-(thiophen-2-ylmethylidene)-1,3-thiazol-4-one (CID 677355) is (5E)-2-piperidin-1-yl-5-(thiophen-2-ylmethylidene)-1,3-thiazol-4-one.
What is the SMILES notation for (5E)-2-piperidin-1-yl-5-(thiophen-2-ylmethylidene)-1,3-thiazol-4-one?
The canonical SMILES for (5E)-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 (5E)-2-piperidin-1-yl-5-(thiophen-2-ylmethylidene)-1,3-thiazol-4-one?
The InChIKey is GSZMJCGZXNPMRE-PKNBQFBNSA-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 (5E)-2-piperidin-1-yl-5-(thiophen-2-ylmethylidene)-1,3-thiazol-4-one?
(5E)-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 (5E)-2-piperidin-1-yl-5-(thiophen-2-ylmethylidene)-1,3-thiazol-4-one is sourced from PubChem (CID 677355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).