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

C11H16F2N4OS — CID 119941702

IUPACN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)NCc1nccn1C(F)F
InChIInChI=1S/C11H16F2N4OS/c12-11(13)17-3-1-15-9(17)6-16-10(18)5-8-7-19-4-2-14-8/h1,3,8,11,14H,2,4-7H2,(H,16,18)
InChIKeyOOZCRHKSBDDYAN-UHFFFAOYSA-N
MW290.34 g/mol
LogP0.99
Rot. Bonds5

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

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-thiomorpholin-3-ylacetamide (PubChem CID 119941702) has the molecular formula C11H16F2N4OS and a molecular weight of 290.34 g/mol. Its IUPAC name is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-thiomorpholin-3-ylacetamide
PubChem CID119941702
Molecular FormulaC11H16F2N4OS
Molecular Weight290.34 g/mol
Exact Mass290.10
IUPAC NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)NCc1nccn1C(F)F
InChIInChI=1S/C11H16F2N4OS/c12-11(13)17-3-1-15-9(17)6-16-10(18)5-8-7-19-4-2-14-8/h1,3,8,11,14H,2,4-7H2,(H,16,18)
InChIKeyOOZCRHKSBDDYAN-UHFFFAOYSA-N
XLogP0.99
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 50.99
H-Bond Donors ≤ 52
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
N~2~-acetyl-N~1~-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-L-methioninamide
CID 90653187
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
3-[1-(2,2-Difluoroethyl)imidazol-2-yl]-1-[4-(methylamino)piperidin-1-yl]propan-1-one
CID 117984726
1-(4-Aminopiperidin-1-yl)-3-[1-(2,2-difluoroethyl)imidazol-2-yl]propan-1-one
CID 117984729

Frequently Asked Questions

What is the IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-thiomorpholin-3-ylacetamide (CID 119941702) is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-thiomorpholin-3-ylacetamide is O=C(CC1CSCCN1)NCc1nccn1C(F)F.
What is the InChIKey of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-thiomorpholin-3-ylacetamide?
The InChIKey is OOZCRHKSBDDYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N4OS/c12-11(13)17-3-1-15-9(17)6-16-10(18)5-8-7-19-4-2-14-8/h1,3,8,11,14H,2,4-7H2,(H,16,18).
What are the key properties of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-thiomorpholin-3-ylacetamide?
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-thiomorpholin-3-ylacetamide has a molecular weight of 290.34 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119941702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).