2-[1-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperidin-4-ylidene]-N-phenylacetamide

C19H22N4O2S — CID 163368412

IUPAC2-[1-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperidin-4-ylidene]-N-phenylacetamide
SMILESCC(=O)Nc1ncc(CN2CCC(=CC(=O)Nc3ccccc3)CC2)s1
InChIInChI=1S/C19H22N4O2S/c1-14(24)21-19-20-12-17(26-19)13-23-9-7-15(8-10-23)11-18(25)22-16-5-3-2-4-6-16/h2-6,11-12H,7-10,13H2,1H3,(H,22,25)(H,20,21,24)
InChIKeyVMANHPUIRKCPFL-UHFFFAOYSA-N
MW370.48 g/mol
LogP3.26
Rot. Bonds5

About 2-[1-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperidin-4-ylidene]-N-phenylacetamide

2-[1-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperidin-4-ylidene]-N-phenylacetamide (PubChem CID 163368412) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is 2-[1-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperidin-4-ylidene]-N-phenylacetamide.

Molecular Properties

Compound Name2-[1-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperidin-4-ylidene]-N-phenylacetamide
PubChem CID163368412
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC Name2-[1-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperidin-4-ylidene]-N-phenylacetamide
SMILESCC(=O)Nc1ncc(CN2CCC(=CC(=O)Nc3ccccc3)CC2)s1
InChIInChI=1S/C19H22N4O2S/c1-14(24)21-19-20-12-17(26-19)13-23-9-7-15(8-10-23)11-18(25)22-16-5-3-2-4-6-16/h2-6,11-12H,7-10,13H2,1H3,(H,22,25)(H,20,21,24)
InChIKeyVMANHPUIRKCPFL-UHFFFAOYSA-N
XLogP3.26
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperidin-4-ylidene]-N-phenylacetamide?
The IUPAC name of 2-[1-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperidin-4-ylidene]-N-phenylacetamide (CID 163368412) is 2-[1-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperidin-4-ylidene]-N-phenylacetamide.
What is the SMILES notation for 2-[1-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperidin-4-ylidene]-N-phenylacetamide?
The canonical SMILES for 2-[1-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperidin-4-ylidene]-N-phenylacetamide is CC(=O)Nc1ncc(CN2CCC(=CC(=O)Nc3ccccc3)CC2)s1.
What is the InChIKey of 2-[1-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperidin-4-ylidene]-N-phenylacetamide?
The InChIKey is VMANHPUIRKCPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-14(24)21-19-20-12-17(26-19)13-23-9-7-15(8-10-23)11-18(25)22-16-5-3-2-4-6-16/h2-6,11-12H,7-10,13H2,1H3,(H,22,25)(H,20,21,24).
What are the key properties of 2-[1-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperidin-4-ylidene]-N-phenylacetamide?
2-[1-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperidin-4-ylidene]-N-phenylacetamide has a molecular weight of 370.48 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperidin-4-ylidene]-N-phenylacetamide is sourced from PubChem (CID 163368412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).