2,2,3,3,3-pentafluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide

C9H9F5N2OS — CID 114038191

IUPAC2,2,3,3,3-pentafluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide
SMILESCC(C)c1csc(NC(=O)C(F)(F)C(F)(F)F)n1
InChIInChI=1S/C9H9F5N2OS/c1-4(2)5-3-18-7(15-5)16-6(17)8(10,11)9(12,13)14/h3-4H,1-2H3,(H,15,16,17)
InChIKeyWMGHNAUYAAZLCW-UHFFFAOYSA-N
MW288.24 g/mol
LogP3.40
Rot. Bonds3

About 2,2,3,3,3-pentafluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide

2,2,3,3,3-pentafluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide (PubChem CID 114038191) has the molecular formula C9H9F5N2OS and a molecular weight of 288.24 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide
PubChem CID114038191
Molecular FormulaC9H9F5N2OS
Molecular Weight288.24 g/mol
Exact Mass288.04
IUPAC Name2,2,3,3,3-pentafluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide
SMILESCC(C)c1csc(NC(=O)C(F)(F)C(F)(F)F)n1
InChIInChI=1S/C9H9F5N2OS/c1-4(2)5-3-18-7(15-5)16-6(17)8(10,11)9(12,13)14/h3-4H,1-2H3,(H,15,16,17)
InChIKeyWMGHNAUYAAZLCW-UHFFFAOYSA-N
XLogP3.40
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.24
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 2,2,3,3,3-pentafluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide 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

N-(4-methylthiazol-2-yl)propionamide
CID 3613666
Acetamide, N-(4-(trifluoromethyl)-2-thiazolyl)-
CID 1229692
2,2,2-trifluoro-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 1229693
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2,2-dimethylpropanamide
CID 60741010
N-(4-tert-Butyl-1,3-thiazol-2-yl)acetamide
CID 588190
N-(4-methyl-1,3-thiazol-2-yl)cyclopropanecarboxamide
CID 2421541
N-(4-tert-butyl-1,3-thiazol-2-yl)-2,2-dimethylpropanamide
CID 57792389
2,2,2-Trifluoro-N-[4-(trifluoromethyl)-2-thiazolyl]acetamide
CID 15710699
3,3-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)butanamide
CID 3902865
N-(4-tert-butyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide
CID 824432
2-bromo-2-methyl-N-(4-methyl(1,3-thiazol-2-yl))propanamide
CID 3092527
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2,3,3,3-tetrafluoro-2-methoxypropanamide
CID 3890722

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentafluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2,2,3,3,3-pentafluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide (CID 114038191) is 2,2,3,3,3-pentafluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2,2,3,3,3-pentafluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide is CC(C)c1csc(NC(=O)C(F)(F)C(F)(F)F)n1.
What is the InChIKey of 2,2,3,3,3-pentafluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide?
The InChIKey is WMGHNAUYAAZLCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F5N2OS/c1-4(2)5-3-18-7(15-5)16-6(17)8(10,11)9(12,13)14/h3-4H,1-2H3,(H,15,16,17).
What are the key properties of 2,2,3,3,3-pentafluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide?
2,2,3,3,3-pentafluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide has a molecular weight of 288.24 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 114038191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).