1-[[2-(prop-2-enoylamino)-1,3-thiazol-5-yl]methyl]-N-prop-1-en-2-ylpiperidine-3-carboxamide

C16H22N4O2S — CID 175454278

IUPAC1-[[2-(prop-2-enoylamino)-1,3-thiazol-5-yl]methyl]-N-prop-1-en-2-ylpiperidine-3-carboxamide
SMILESC=CC(=O)Nc1ncc(CN2CCCC(C(=O)NC(=C)C)C2)s1
InChIInChI=1S/C16H22N4O2S/c1-4-14(21)19-16-17-8-13(23-16)10-20-7-5-6-12(9-20)15(22)18-11(2)3/h4,8,12H,1-2,5-7,9-10H2,3H3,(H,18,22)(H,17,19,21)
InChIKeyWKHSZKVHYLODJY-UHFFFAOYSA-N
MW334.45 g/mol
LogP2.13
Rot. Bonds6

About 1-[[2-(prop-2-enoylamino)-1,3-thiazol-5-yl]methyl]-N-prop-1-en-2-ylpiperidine-3-carboxamide

1-[[2-(prop-2-enoylamino)-1,3-thiazol-5-yl]methyl]-N-prop-1-en-2-ylpiperidine-3-carboxamide (PubChem CID 175454278) has the molecular formula C16H22N4O2S and a molecular weight of 334.45 g/mol. Its IUPAC name is 1-[[2-(prop-2-enoylamino)-1,3-thiazol-5-yl]methyl]-N-prop-1-en-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[[2-(prop-2-enoylamino)-1,3-thiazol-5-yl]methyl]-N-prop-1-en-2-ylpiperidine-3-carboxamide
PubChem CID175454278
Molecular FormulaC16H22N4O2S
Molecular Weight334.45 g/mol
Exact Mass334.15
IUPAC Name1-[[2-(prop-2-enoylamino)-1,3-thiazol-5-yl]methyl]-N-prop-1-en-2-ylpiperidine-3-carboxamide
SMILESC=CC(=O)Nc1ncc(CN2CCCC(C(=O)NC(=C)C)C2)s1
InChIInChI=1S/C16H22N4O2S/c1-4-14(21)19-16-17-8-13(23-16)10-20-7-5-6-12(9-20)15(22)18-11(2)3/h4,8,12H,1-2,5-7,9-10H2,3H3,(H,18,22)(H,17,19,21)
InChIKeyWKHSZKVHYLODJY-UHFFFAOYSA-N
XLogP2.13
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 52.13
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
1-[[2-(prop-2-enoylamino)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylic acid
CID 175454306
N-[5-[[3-[(5-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 162769248
N-[5-[[(3S)-3-[(5-fluoro-3-pyridinyl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 139491347
N-[5-[[3-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 175123965
N-[5-[[(3S)-3-[1-(5-fluoropyrimidin-2-yl)ethyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 175124459
N-[5-[[(3R)-3-[(2,6-dimethylpyrimidin-4-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 135135074
N-[5-[[(3R)-3-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 139500930
N-[5-[[(3S)-3-[(2,6-dimethyl-4-pyridinyl)oxy]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;sulfane
CID 160933841
N-[5-[[3-(imidazo[1,2-a]pyrazin-5-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 142415464
N-[5-(piperazin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide;dihydrochloride
CID 71308050
N-[5-[[3-(1-methylpyrrolo[3,2-b]pyridin-6-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 142415574

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(prop-2-enoylamino)-1,3-thiazol-5-yl]methyl]-N-prop-1-en-2-ylpiperidine-3-carboxamide?
The IUPAC name of 1-[[2-(prop-2-enoylamino)-1,3-thiazol-5-yl]methyl]-N-prop-1-en-2-ylpiperidine-3-carboxamide (CID 175454278) is 1-[[2-(prop-2-enoylamino)-1,3-thiazol-5-yl]methyl]-N-prop-1-en-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[[2-(prop-2-enoylamino)-1,3-thiazol-5-yl]methyl]-N-prop-1-en-2-ylpiperidine-3-carboxamide?
The canonical SMILES for 1-[[2-(prop-2-enoylamino)-1,3-thiazol-5-yl]methyl]-N-prop-1-en-2-ylpiperidine-3-carboxamide is C=CC(=O)Nc1ncc(CN2CCCC(C(=O)NC(=C)C)C2)s1.
What is the InChIKey of 1-[[2-(prop-2-enoylamino)-1,3-thiazol-5-yl]methyl]-N-prop-1-en-2-ylpiperidine-3-carboxamide?
The InChIKey is WKHSZKVHYLODJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-4-14(21)19-16-17-8-13(23-16)10-20-7-5-6-12(9-20)15(22)18-11(2)3/h4,8,12H,1-2,5-7,9-10H2,3H3,(H,18,22)(H,17,19,21).
What are the key properties of 1-[[2-(prop-2-enoylamino)-1,3-thiazol-5-yl]methyl]-N-prop-1-en-2-ylpiperidine-3-carboxamide?
1-[[2-(prop-2-enoylamino)-1,3-thiazol-5-yl]methyl]-N-prop-1-en-2-ylpiperidine-3-carboxamide has a molecular weight of 334.45 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(prop-2-enoylamino)-1,3-thiazol-5-yl]methyl]-N-prop-1-en-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 175454278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).