N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-2-thiomorpholin-3-ylacetamide

C12H18F2N4OS — CID 119941317

IUPACN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-2-thiomorpholin-3-ylacetamide
SMILESCN(Cc1nccn1C(F)F)C(=O)CC1CSCCN1
InChIInChI=1S/C12H18F2N4OS/c1-17(7-10-16-2-4-18(10)12(13)14)11(19)6-9-8-20-5-3-15-9/h2,4,9,12,15H,3,5-8H2,1H3
InChIKeyGRGHYSOKSCAEAT-UHFFFAOYSA-N
MW304.37 g/mol
LogP1.33
Rot. Bonds5

About N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-2-thiomorpholin-3-ylacetamide

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-2-thiomorpholin-3-ylacetamide (PubChem CID 119941317) has the molecular formula C12H18F2N4OS and a molecular weight of 304.37 g/mol. Its IUPAC name is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-2-thiomorpholin-3-ylacetamide
PubChem CID119941317
Molecular FormulaC12H18F2N4OS
Molecular Weight304.37 g/mol
Exact Mass304.12
IUPAC NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-2-thiomorpholin-3-ylacetamide
SMILESCN(Cc1nccn1C(F)F)C(=O)CC1CSCCN1
InChIInChI=1S/C12H18F2N4OS/c1-17(7-10-16-2-4-18(10)12(13)14)11(19)6-9-8-20-5-3-15-9/h2,4,9,12,15H,3,5-8H2,1H3
InChIKeyGRGHYSOKSCAEAT-UHFFFAOYSA-N
XLogP1.33
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 53561071
4-(3-imidazol-1-ylpropyl)-3-methyl-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide
CID 53383076
1-[2-(1H-imidazol-2-yl)piperidin-1-yl]-2-(trifluoromethylsulfanyl)ethanone
CID 47089011
[4-[[1-(Difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-(thiolan-2-yl)methanone
CID 71870102
2-methylsulfanyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)acetamide
CID 86772032
N~2~-acetyl-N~1~-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-L-methioninamide
CID 90653187
N-[3-(2-ethyl-1H-imidazol-1-yl)propyl]-2-(methylthio)acetamide
CID 91770591
4,4,4-trifluoro-3-imidazol-1-yl-N-(2-sulfanylethyl)butanamide
CID 177680377
3-sulfanyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]propanamide
CID 177681209
N-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-4-yl]cyclopropanecarboxamide
CID 37476264
1-[4-(Methylamino)piperidin-1-yl]-3-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]propan-1-one
CID 117984717
1-(4-Aminopiperidin-1-yl)-3-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]propan-1-one
CID 117984722

Frequently Asked Questions

What is the IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-2-thiomorpholin-3-ylacetamide (CID 119941317) is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-2-thiomorpholin-3-ylacetamide is CN(Cc1nccn1C(F)F)C(=O)CC1CSCCN1.
What is the InChIKey of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-2-thiomorpholin-3-ylacetamide?
The InChIKey is GRGHYSOKSCAEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N4OS/c1-17(7-10-16-2-4-18(10)12(13)14)11(19)6-9-8-20-5-3-15-9/h2,4,9,12,15H,3,5-8H2,1H3.
What are the key properties of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-2-thiomorpholin-3-ylacetamide?
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-2-thiomorpholin-3-ylacetamide has a molecular weight of 304.37 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119941317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).