N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylacetamide

C11H16F2N4O3S — CID 78898575

IUPACN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylacetamide
SMILESCN(Cc1nccn1C(F)F)C(=O)CN1CCCS1(=O)=O
InChIInChI=1S/C11H16F2N4O3S/c1-15(7-9-14-3-5-17(9)11(12)13)10(18)8-16-4-2-6-21(16,19)20/h3,5,11H,2,4,6-8H2,1H3
InChIKeyCCCCVSXMGYSQEF-UHFFFAOYSA-N
MW322.34 g/mol
LogP0.27
Rot. Bonds5

About N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylacetamide

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylacetamide (PubChem CID 78898575) has the molecular formula C11H16F2N4O3S and a molecular weight of 322.34 g/mol. Its IUPAC name is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylacetamide
PubChem CID78898575
Molecular FormulaC11H16F2N4O3S
Molecular Weight322.34 g/mol
Exact Mass322.09
IUPAC NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylacetamide
SMILESCN(Cc1nccn1C(F)F)C(=O)CN1CCCS1(=O)=O
InChIInChI=1S/C11H16F2N4O3S/c1-15(7-9-14-3-5-17(9)11(12)13)10(18)8-16-4-2-6-21(16,19)20/h3,5,11H,2,4,6-8H2,1H3
InChIKeyCCCCVSXMGYSQEF-UHFFFAOYSA-N
XLogP0.27
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylacetamide?
The IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylacetamide (CID 78898575) is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylacetamide.
What is the SMILES notation for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylacetamide?
The canonical SMILES for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylacetamide is CN(Cc1nccn1C(F)F)C(=O)CN1CCCS1(=O)=O.
What is the InChIKey of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylacetamide?
The InChIKey is CCCCVSXMGYSQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N4O3S/c1-15(7-9-14-3-5-17(9)11(12)13)10(18)8-16-4-2-6-21(16,19)20/h3,5,11H,2,4,6-8H2,1H3.
What are the key properties of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylacetamide?
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylacetamide has a molecular weight of 322.34 g/mol, XLogP of 0.27, 5 rotatable bonds, 0 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-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylacetamide is sourced from PubChem (CID 78898575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).