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

C14H16N2OS2 — CID 5286753

IUPAC(5Z)-2-(4-methylpiperidin-1-yl)-5-(thiophen-2-ylmethylidene)-1,3-thiazol-4-one
SMILESCC1CCN(C2=NC(=O)/C(=C/c3cccs3)S2)CC1
InChIInChI=1S/C14H16N2OS2/c1-10-4-6-16(7-5-10)14-15-13(17)12(19-14)9-11-3-2-8-18-11/h2-3,8-10H,4-7H2,1H3/b12-9-
InChIKeyXRXDOSDYYBWTMD-XFXZXTDPSA-N
MW292.43 g/mol
LogP3.45
Rot. Bonds1

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

(5Z)-2-(4-methylpiperidin-1-yl)-5-(thiophen-2-ylmethylidene)-1,3-thiazol-4-one (PubChem CID 5286753) has the molecular formula C14H16N2OS2 and a molecular weight of 292.43 g/mol. Its IUPAC name is (5Z)-2-(4-methylpiperidin-1-yl)-5-(thiophen-2-ylmethylidene)-1,3-thiazol-4-one.

Molecular Properties

Compound Name(5Z)-2-(4-methylpiperidin-1-yl)-5-(thiophen-2-ylmethylidene)-1,3-thiazol-4-one
PubChem CID5286753
Molecular FormulaC14H16N2OS2
Molecular Weight292.43 g/mol
Exact Mass292.07
IUPAC Name(5Z)-2-(4-methylpiperidin-1-yl)-5-(thiophen-2-ylmethylidene)-1,3-thiazol-4-one
SMILESCC1CCN(C2=NC(=O)/C(=C/c3cccs3)S2)CC1
InChIInChI=1S/C14H16N2OS2/c1-10-4-6-16(7-5-10)14-15-13(17)12(19-14)9-11-3-2-8-18-11/h2-3,8-10H,4-7H2,1H3/b12-9-
InChIKeyXRXDOSDYYBWTMD-XFXZXTDPSA-N
XLogP3.45
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 ≤ 53.45
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 (5Z)-2-(4-methylpiperidin-1-yl)-5-(thiophen-2-ylmethylidene)-1,3-thiazol-4-one?
The IUPAC name of (5Z)-2-(4-methylpiperidin-1-yl)-5-(thiophen-2-ylmethylidene)-1,3-thiazol-4-one (CID 5286753) is (5Z)-2-(4-methylpiperidin-1-yl)-5-(thiophen-2-ylmethylidene)-1,3-thiazol-4-one.
What is the SMILES notation for (5Z)-2-(4-methylpiperidin-1-yl)-5-(thiophen-2-ylmethylidene)-1,3-thiazol-4-one?
The canonical SMILES for (5Z)-2-(4-methylpiperidin-1-yl)-5-(thiophen-2-ylmethylidene)-1,3-thiazol-4-one is CC1CCN(C2=NC(=O)/C(=C/c3cccs3)S2)CC1.
What is the InChIKey of (5Z)-2-(4-methylpiperidin-1-yl)-5-(thiophen-2-ylmethylidene)-1,3-thiazol-4-one?
The InChIKey is XRXDOSDYYBWTMD-XFXZXTDPSA-N. The full InChI is InChI=1S/C14H16N2OS2/c1-10-4-6-16(7-5-10)14-15-13(17)12(19-14)9-11-3-2-8-18-11/h2-3,8-10H,4-7H2,1H3/b12-9-.
What are the key properties of (5Z)-2-(4-methylpiperidin-1-yl)-5-(thiophen-2-ylmethylidene)-1,3-thiazol-4-one?
(5Z)-2-(4-methylpiperidin-1-yl)-5-(thiophen-2-ylmethylidene)-1,3-thiazol-4-one has a molecular weight of 292.43 g/mol, XLogP of 3.45, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-(4-methylpiperidin-1-yl)-5-(thiophen-2-ylmethylidene)-1,3-thiazol-4-one is sourced from PubChem (CID 5286753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).