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

C19H28N4O2S — CID 163368456

IUPAC2-[1-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperidin-4-ylidene]-N-cyclohexylacetamide
SMILESCC(=O)Nc1ncc(CN2CCC(=CC(=O)NC3CCCCC3)CC2)s1
InChIInChI=1S/C19H28N4O2S/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/h11-12,16H,2-10,13H2,1H3,(H,22,25)(H,20,21,24)
InChIKeyGHZOSIAHFXMZGX-UHFFFAOYSA-N
MW376.53 g/mol
LogP3.07
Rot. Bonds5

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

2-[1-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperidin-4-ylidene]-N-cyclohexylacetamide (PubChem CID 163368456) has the molecular formula C19H28N4O2S and a molecular weight of 376.53 g/mol. Its IUPAC name is 2-[1-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperidin-4-ylidene]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[1-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperidin-4-ylidene]-N-cyclohexylacetamide
PubChem CID163368456
Molecular FormulaC19H28N4O2S
Molecular Weight376.53 g/mol
Exact Mass376.19
IUPAC Name2-[1-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperidin-4-ylidene]-N-cyclohexylacetamide
SMILESCC(=O)Nc1ncc(CN2CCC(=CC(=O)NC3CCCCC3)CC2)s1
InChIInChI=1S/C19H28N4O2S/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/h11-12,16H,2-10,13H2,1H3,(H,22,25)(H,20,21,24)
InChIKeyGHZOSIAHFXMZGX-UHFFFAOYSA-N
XLogP3.07
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.53
LogP ≤ 53.07
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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Related Compounds

1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-cyclohexylpiperidine-3-carboxamide
CID 163368407
2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]-3-methylpiperazin-1-yl]-N-cyclohexylacetamide
CID 163368465
2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-cyclohexylacetamide
CID 163368446
US10913733, Example 3
CID 129251725
1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-cyclohexylpiperidine-4-carboxamide
CID 163368433
N-[5-[[(4E)-4-[(6-fluoropiperidin-3-yl)methylidene]-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 155315110
N-[5-[[(2S,4E)-4-[[(3S,6S)-6-fluoropiperidin-3-yl]methylidene]-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 155315111
N-[5-[[(2S,4E)-4-[(6-fluoropiperidin-3-yl)methylidene]-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 155315112
N-[5-[[4-[(6-fluoropiperidin-3-yl)methylidene]-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 155315113
(E)-N-[(1R,2S,3R,5S)-2-fluoro-8-[2-(prop-2-enylamino)-1,3-thiazole-5-carbonyl]-8-azabicyclo[3.2.1]octan-3-yl]pent-2-enamide
CID 166375126
1-(1-Butanoylpiperidin-4-yl)-1-cyclohexyl-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 57883593
1,1-Dicyclohexyl-3-[5-(isopropylamino-methyl)-thiazol-2-yl]-urea
CID 57883675

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperidin-4-ylidene]-N-cyclohexylacetamide?
The IUPAC name of 2-[1-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperidin-4-ylidene]-N-cyclohexylacetamide (CID 163368456) is 2-[1-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperidin-4-ylidene]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[1-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperidin-4-ylidene]-N-cyclohexylacetamide?
The canonical SMILES for 2-[1-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperidin-4-ylidene]-N-cyclohexylacetamide 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-cyclohexylacetamide?
The InChIKey is GHZOSIAHFXMZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2S/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/h11-12,16H,2-10,13H2,1H3,(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-cyclohexylacetamide?
2-[1-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperidin-4-ylidene]-N-cyclohexylacetamide has a molecular weight of 376.53 g/mol, XLogP of 3.07, 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-cyclohexylacetamide is sourced from PubChem (CID 163368456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).