ethane;2-(1-oxo-1,4-thiazinan-4-yl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide

C16H24F3N3O3S — CID 171787086

IUPACethane;2-(1-oxo-1,4-thiazinan-4-yl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide
SMILESCC.O=C(CN1CCS(=O)CC1)NCc1ccnc(OCC(F)(F)F)c1
InChIInChI=1S/C14H18F3N3O3S.C2H6/c15-14(16,17)10-23-13-7-11(1-2-18-13)8-19-12(21)9-20-3-5-24(22)6-4-20;1-2/h1-2,7H,3-6,8-10H2,(H,19,21);1-2H3
InChIKeyIUVCUNGHDUEUBB-UHFFFAOYSA-N
MW395.45 g/mol
LogP1.73
Rot. Bonds6

About ethane;2-(1-oxo-1,4-thiazinan-4-yl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide

ethane;2-(1-oxo-1,4-thiazinan-4-yl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide (PubChem CID 171787086) has the molecular formula C16H24F3N3O3S and a molecular weight of 395.45 g/mol. Its IUPAC name is ethane;2-(1-oxo-1,4-thiazinan-4-yl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide.

Molecular Properties

Compound Nameethane;2-(1-oxo-1,4-thiazinan-4-yl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide
PubChem CID171787086
Molecular FormulaC16H24F3N3O3S
Molecular Weight395.45 g/mol
Exact Mass395.15
IUPAC Nameethane;2-(1-oxo-1,4-thiazinan-4-yl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide
SMILESCC.O=C(CN1CCS(=O)CC1)NCc1ccnc(OCC(F)(F)F)c1
InChIInChI=1S/C14H18F3N3O3S.C2H6/c15-14(16,17)10-23-13-7-11(1-2-18-13)8-19-12(21)9-20-3-5-24(22)6-4-20;1-2/h1-2,7H,3-6,8-10H2,(H,19,21);1-2H3
InChIKeyIUVCUNGHDUEUBB-UHFFFAOYSA-N
XLogP1.73
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.45
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethane;2-(1-oxo-1,4-thiazinan-4-yl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide with MolForge

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Related Compounds

2-[(3S)-3-fluoropiperidin-1-yl]-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide
CID 171787046
methyl N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]carbamate
CID 171787356
2-(3-bromo-2-methylindol-1-yl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide
CID 55858679
2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide
CID 171787055
N-[(2-methoxy-4-pyridinyl)methyl]-2-piperazin-1-ylacetamide
CID 62995583
2-(5-fluoro-2-methylphenyl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide
CID 171787141
1-amino-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]cyclopropane-1-carboxamide
CID 119847030
2-(8-methyl-4-oxoquinazolin-3-yl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide
CID 39502253
3,3-dimethyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]cyclobutane-1-carboxamide
CID 178036152
2-(4-hydroxyoxan-4-yl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide
CID 171786984
N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]pyridine-4-carboxamide
CID 39503685
(2R)-2-ethyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]morpholine-4-carboxamide
CID 95287089

Frequently Asked Questions

What is the IUPAC name of ethane;2-(1-oxo-1,4-thiazinan-4-yl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide?
The IUPAC name of ethane;2-(1-oxo-1,4-thiazinan-4-yl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide (CID 171787086) is ethane;2-(1-oxo-1,4-thiazinan-4-yl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide.
What is the SMILES notation for ethane;2-(1-oxo-1,4-thiazinan-4-yl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide?
The canonical SMILES for ethane;2-(1-oxo-1,4-thiazinan-4-yl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide is CC.O=C(CN1CCS(=O)CC1)NCc1ccnc(OCC(F)(F)F)c1.
What is the InChIKey of ethane;2-(1-oxo-1,4-thiazinan-4-yl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide?
The InChIKey is IUVCUNGHDUEUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O3S.C2H6/c15-14(16,17)10-23-13-7-11(1-2-18-13)8-19-12(21)9-20-3-5-24(22)6-4-20;1-2/h1-2,7H,3-6,8-10H2,(H,19,21);1-2H3.
What are the key properties of ethane;2-(1-oxo-1,4-thiazinan-4-yl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide?
ethane;2-(1-oxo-1,4-thiazinan-4-yl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide has a molecular weight of 395.45 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(1-oxo-1,4-thiazinan-4-yl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide is sourced from PubChem (CID 171787086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).