1-[(5Z)-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazol-2-yl]piperidine-4-carboxamide

C14H15N3O2S2 — CID 2173912

IUPAC1-[(5Z)-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazol-2-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C2=NC(=O)/C(=C/c3cccs3)S2)CC1
InChIInChI=1S/C14H15N3O2S2/c15-12(18)9-3-5-17(6-4-9)14-16-13(19)11(21-14)8-10-2-1-7-20-10/h1-2,7-9H,3-6H2,(H2,15,18)/b11-8-
InChIKeySPZKITPTNYGRTJ-FLIBITNWSA-N
MW321.43 g/mol
LogP1.92
Rot. Bonds2

About 1-[(5Z)-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazol-2-yl]piperidine-4-carboxamide

1-[(5Z)-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazol-2-yl]piperidine-4-carboxamide (PubChem CID 2173912) has the molecular formula C14H15N3O2S2 and a molecular weight of 321.43 g/mol. Its IUPAC name is 1-[(5Z)-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(5Z)-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazol-2-yl]piperidine-4-carboxamide
PubChem CID2173912
Molecular FormulaC14H15N3O2S2
Molecular Weight321.43 g/mol
Exact Mass321.06
IUPAC Name1-[(5Z)-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazol-2-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C2=NC(=O)/C(=C/c3cccs3)S2)CC1
InChIInChI=1S/C14H15N3O2S2/c15-12(18)9-3-5-17(6-4-9)14-16-13(19)11(21-14)8-10-2-1-7-20-10/h1-2,7-9H,3-6H2,(H2,15,18)/b11-8-
InChIKeySPZKITPTNYGRTJ-FLIBITNWSA-N
XLogP1.92
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-piperidin-1-yl-5-(thiophen-2-ylmethylidene)-1,3-thiazol-4-one
CID 677356
(5Z)-5-[(3-methylthiophen-2-yl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one
CID 701623
2-(4-methyl-1-piperidinyl)-5-(2-thienylmethylene)-1,3-thiazol-4(5H)-one
CID 5286753
(5Z)-5-[(5-methylthiophen-2-yl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one
CID 9247657
5-[(3-Methyl(2-thienyl))methylene]-2-piperidyl-1,3-thiazolin-4-one
CID 701622
(5Z)-2-(4-methylpiperazin-1-yl)-5-[(3-methylthiophen-2-yl)methylidene]-1,3-thiazol-4(5H)-one
CID 879075
N-(4,5-dihydro-1,3-thiazol-2-yl)-4-[4-oxo-5-(2-thienylmethylene)-2-thioxo-1,3-thiazolidin-3-yl]butanamide
CID 2268356
Propionamide, N-[5-(3-methylthiophen-2-ylmethylene)-4-oxothiazolidin-2-ylidene]-
CID 5373404
4-[4-oxo-5-(2-thienylmethylene)-2-thioxo(1,3-thiazolidin-3-yl)]-N-(1,3-thiazol in-2-yl)butanamide
CID 2268357
N-(4,5-dihydro-1,3-thiazol-2-yl)-4-[4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]butanamide
CID 2886210
5-[(3-Methylthiophen-2-yl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one
CID 4399135
(5E)-2-piperidin-1-yl-5-(thiophen-2-ylmethylidene)-1,3-thiazol-4-one
CID 677355

Frequently Asked Questions

What is the IUPAC name of 1-[(5Z)-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[(5Z)-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazol-2-yl]piperidine-4-carboxamide (CID 2173912) is 1-[(5Z)-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazol-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(5Z)-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(5Z)-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazol-2-yl]piperidine-4-carboxamide is NC(=O)C1CCN(C2=NC(=O)/C(=C/c3cccs3)S2)CC1.
What is the InChIKey of 1-[(5Z)-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The InChIKey is SPZKITPTNYGRTJ-FLIBITNWSA-N. The full InChI is InChI=1S/C14H15N3O2S2/c15-12(18)9-3-5-17(6-4-9)14-16-13(19)11(21-14)8-10-2-1-7-20-10/h1-2,7-9H,3-6H2,(H2,15,18)/b11-8-.
What are the key properties of 1-[(5Z)-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
1-[(5Z)-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazol-2-yl]piperidine-4-carboxamide has a molecular weight of 321.43 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5Z)-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 2173912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).