cesium;carbanide;N-[5-[[3-[(5-fluoropyrimidin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

C16H21CsFN5OS — CID 153344093

IUPACcesium;carbanide;N-[5-[[3-[(5-fluoropyrimidin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCC(Cc3ncc(F)cn3)C2)s1.[CH3-].[Cs+]
InChIInChI=1S/C15H18FN5OS.CH3.Cs/c1-10(22)20-15-19-7-13(23-15)9-21-3-2-11(8-21)4-14-17-5-12(16)6-18-14;;/h5-7,11H,2-4,8-9H2,1H3,(H,19,20,22);1H3;/q;-1;+1
InChIKeyPDOXGALZEQAQMW-UHFFFAOYSA-N
MW483.35 g/mol
LogP-0.45
Rot. Bonds5

About cesium;carbanide;N-[5-[[3-[(5-fluoropyrimidin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

cesium;carbanide;N-[5-[[3-[(5-fluoropyrimidin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 153344093) has the molecular formula C16H21CsFN5OS and a molecular weight of 483.35 g/mol. Its IUPAC name is cesium;carbanide;N-[5-[[3-[(5-fluoropyrimidin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Namecesium;carbanide;N-[5-[[3-[(5-fluoropyrimidin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID153344093
Molecular FormulaC16H21CsFN5OS
Molecular Weight483.35 g/mol
Exact Mass483.05
IUPAC Namecesium;carbanide;N-[5-[[3-[(5-fluoropyrimidin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCC(Cc3ncc(F)cn3)C2)s1.[CH3-].[Cs+]
InChIInChI=1S/C15H18FN5OS.CH3.Cs/c1-10(22)20-15-19-7-13(23-15)9-21-3-2-11(8-21)4-14-17-5-12(16)6-18-14;;/h5-7,11H,2-4,8-9H2,1H3,(H,19,20,22);1H3;/q;-1;+1
InChIKeyPDOXGALZEQAQMW-UHFFFAOYSA-N
XLogP-0.45
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.35
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[5-[[(3R)-3-[(5-fluoro-4,6-dimethylpyrimidin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 158570276
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-[(3,4-difluorophenyl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 139491268
N-[5-[[(2S)-2-[(5-fluoropyrimidin-2-yl)methyl]-1,4-oxazepan-4-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 146629065
N-[5-[[(2S,6R)-2-[(5-fluoropyrimidin-2-yl)methyl]-6-methylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 146628914
N-[5-[[3-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 142375492
N-[5-[[(3R)-3-[(5-fluoropyrimidin-2-yl)methyl]piperidin-1-yl]methyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 139500156
N-[5-[[(3S)-3-[(5-fluoro-3-pyridinyl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 139491347
N-[5-[[3-[(5-methylpyridazin-3-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 135135529
N-[5-[[(3S)-3-[1-(5-fluoropyrimidin-2-yl)ethyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 175124459
N-[5-[[3-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 175123965
N-[5-[[3-[(5-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 162769248

Frequently Asked Questions

What is the IUPAC name of cesium;carbanide;N-[5-[[3-[(5-fluoropyrimidin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of cesium;carbanide;N-[5-[[3-[(5-fluoropyrimidin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 153344093) is cesium;carbanide;N-[5-[[3-[(5-fluoropyrimidin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for cesium;carbanide;N-[5-[[3-[(5-fluoropyrimidin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for cesium;carbanide;N-[5-[[3-[(5-fluoropyrimidin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(CN2CCC(Cc3ncc(F)cn3)C2)s1.[CH3-].[Cs+].
What is the InChIKey of cesium;carbanide;N-[5-[[3-[(5-fluoropyrimidin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is PDOXGALZEQAQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN5OS.CH3.Cs/c1-10(22)20-15-19-7-13(23-15)9-21-3-2-11(8-21)4-14-17-5-12(16)6-18-14;;/h5-7,11H,2-4,8-9H2,1H3,(H,19,20,22);1H3;/q;-1;+1.
What are the key properties of cesium;carbanide;N-[5-[[3-[(5-fluoropyrimidin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
cesium;carbanide;N-[5-[[3-[(5-fluoropyrimidin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 483.35 g/mol, XLogP of -0.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cesium;carbanide;N-[5-[[3-[(5-fluoropyrimidin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 153344093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).