N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide

C16H17F2N3O2S — CID 46453433

IUPACN-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
SMILESCC(C)c1nc(CC(=O)NCC(=O)Nc2ccc(F)c(F)c2)cs1
InChIInChI=1S/C16H17F2N3O2S/c1-9(2)16-21-11(8-24-16)6-14(22)19-7-15(23)20-10-3-4-12(17)13(18)5-10/h3-5,8-9H,6-7H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyLBZHPKBLOOLHIU-UHFFFAOYSA-N
MW353.39 g/mol
LogP2.84
Rot. Bonds6

About N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide

N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 46453433) has the molecular formula C16H17F2N3O2S and a molecular weight of 353.39 g/mol. Its IUPAC name is N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
PubChem CID46453433
Molecular FormulaC16H17F2N3O2S
Molecular Weight353.39 g/mol
Exact Mass353.10
IUPAC NameN-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
SMILESCC(C)c1nc(CC(=O)NCC(=O)Nc2ccc(F)c(F)c2)cs1
InChIInChI=1S/C16H17F2N3O2S/c1-9(2)16-21-11(8-24-16)6-14(22)19-7-15(23)20-10-3-4-12(17)13(18)5-10/h3-5,8-9H,6-7H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyLBZHPKBLOOLHIU-UHFFFAOYSA-N
XLogP2.84
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-chloro-N,N-dimethyl-5-[[2-(2-propan-2-yl-1,3-thiazol-4-yl)acetyl]amino]benzamide
CID 60547951
N-ethyl-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 91286036
N-(3,4-difluorophenyl)-2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 18567512
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-thiophen-2-ylacetamide
CID 17395086
N-(3,4-difluorophenyl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide
CID 30941160
N-(2,5-dichlorophenyl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 38886003
N-(2,5-dimethylphenyl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 38884969
2-fluoro-N-[4-[2-oxo-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]ethyl]-1,3-thiazol-2-yl]benzamide
CID 56557619
N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 38921105
methyl N-[2-(3,4-difluoroanilino)-2-oxoethyl]carbamate
CID 47129041
N-[(4-tert-butylphenyl)methyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 90758793
N-(5-methyl-2-pyridinyl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 39718552

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide (CID 46453433) is N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide is CC(C)c1nc(CC(=O)NCC(=O)Nc2ccc(F)c(F)c2)cs1.
What is the InChIKey of N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is LBZHPKBLOOLHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O2S/c1-9(2)16-21-11(8-24-16)6-14(22)19-7-15(23)20-10-3-4-12(17)13(18)5-10/h3-5,8-9H,6-7H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide?
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 353.39 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 46453433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).