N-[1-[[5-(3,3-difluoropyrrolidine-1-carbonyl)-4-phenyl-1,3-thiazol-2-yl]amino]-2-methyl-1-oxopropan-2-yl]-4-fluorobenzamide

C25H23F3N4O3S — CID 57476897

IUPACN-[1-[[5-(3,3-difluoropyrrolidine-1-carbonyl)-4-phenyl-1,3-thiazol-2-yl]amino]-2-methyl-1-oxopropan-2-yl]-4-fluorobenzamide
SMILESCC(C)(NC(=O)c1ccc(F)cc1)C(=O)Nc1nc(-c2ccccc2)c(C(=O)N2CCC(F)(F)C2)s1
InChIInChI=1S/C25H23F3N4O3S/c1-24(2,31-20(33)16-8-10-17(26)11-9-16)22(35)30-23-29-18(15-6-4-3-5-7-15)19(36-23)21(34)32-13-12-25(27,28)14-32/h3-11H,12-14H2,1-2H3,(H,31,33)(H,29,30,35)
InChIKeyWGOGINIKSSQTBU-UHFFFAOYSA-N
MW516.55 g/mol
LogP4.58
Rot. Bonds6

About N-[1-[[5-(3,3-difluoropyrrolidine-1-carbonyl)-4-phenyl-1,3-thiazol-2-yl]amino]-2-methyl-1-oxopropan-2-yl]-4-fluorobenzamide

N-[1-[[5-(3,3-difluoropyrrolidine-1-carbonyl)-4-phenyl-1,3-thiazol-2-yl]amino]-2-methyl-1-oxopropan-2-yl]-4-fluorobenzamide (PubChem CID 57476897) has the molecular formula C25H23F3N4O3S and a molecular weight of 516.55 g/mol. Its IUPAC name is N-[1-[[5-(3,3-difluoropyrrolidine-1-carbonyl)-4-phenyl-1,3-thiazol-2-yl]amino]-2-methyl-1-oxopropan-2-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[1-[[5-(3,3-difluoropyrrolidine-1-carbonyl)-4-phenyl-1,3-thiazol-2-yl]amino]-2-methyl-1-oxopropan-2-yl]-4-fluorobenzamide
PubChem CID57476897
Molecular FormulaC25H23F3N4O3S
Molecular Weight516.55 g/mol
Exact Mass516.14
IUPAC NameN-[1-[[5-(3,3-difluoropyrrolidine-1-carbonyl)-4-phenyl-1,3-thiazol-2-yl]amino]-2-methyl-1-oxopropan-2-yl]-4-fluorobenzamide
SMILESCC(C)(NC(=O)c1ccc(F)cc1)C(=O)Nc1nc(-c2ccccc2)c(C(=O)N2CCC(F)(F)C2)s1
InChIInChI=1S/C25H23F3N4O3S/c1-24(2,31-20(33)16-8-10-17(26)11-9-16)22(35)30-23-29-18(15-6-4-3-5-7-15)19(36-23)21(34)32-13-12-25(27,28)14-32/h3-11H,12-14H2,1-2H3,(H,31,33)(H,29,30,35)
InChIKeyWGOGINIKSSQTBU-UHFFFAOYSA-N
XLogP4.58
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.55
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-[[5-(3,3-difluoropyrrolidine-1-carbonyl)-4-phenyl-1,3-thiazol-2-yl]amino]-2-methyl-1-oxopropan-2-yl]-4-fluorobenzamide 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

4-(4-fluorophenyl)-2,2-dimethyl-4-oxo-N-[4-phenyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]butanamide
CID 59158608
4-fluoro-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzamide
CID 2304857
4-fluoro-N-[1-[[4-(4-fluorophenyl)-5-[methyl(oxan-4-yl)amino]-1,3-thiazol-2-yl]amino]-2-methyl-1-oxopropan-2-yl]benzamide
CID 44612575
N-[1-[[5-(5-cyclopropyl-1H-imidazol-2-yl)-4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-methyl-1-oxopropan-2-yl]-4-fluorobenzamide
CID 141255934
3-fluoro-1-(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 120688243
N-[4-(4-fluorophenyl)-5-phenyl-1,3-thiazol-2-yl]-4-phenylbenzamide
CID 126057357
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)benzamide
CID 981611
N-[1-[(5-benzyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-methyl-1-oxopropan-2-yl]-3,4-dimethylbenzamide
CID 59158602
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-phenylbenzamide
CID 7920283
N-[1-[(1-benzyl-5-phenyl-1,2,4-triazol-3-yl)amino]-2-methyl-1-oxopropan-2-yl]-4-fluorobenzamide
CID 44612573
N-[5-(4,4-difluoropiperidine-1-carbonyl)-4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1,3-thiazol-2-yl]-2-[[(4-fluorophenyl)-hydroxymethyl]amino]-2-methylpropanamide
CID 162561528
4-fluoro-N-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)carbamothioyl]benzamide
CID 164687705

Frequently Asked Questions

What is the IUPAC name of N-[1-[[5-(3,3-difluoropyrrolidine-1-carbonyl)-4-phenyl-1,3-thiazol-2-yl]amino]-2-methyl-1-oxopropan-2-yl]-4-fluorobenzamide?
The IUPAC name of N-[1-[[5-(3,3-difluoropyrrolidine-1-carbonyl)-4-phenyl-1,3-thiazol-2-yl]amino]-2-methyl-1-oxopropan-2-yl]-4-fluorobenzamide (CID 57476897) is N-[1-[[5-(3,3-difluoropyrrolidine-1-carbonyl)-4-phenyl-1,3-thiazol-2-yl]amino]-2-methyl-1-oxopropan-2-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[1-[[5-(3,3-difluoropyrrolidine-1-carbonyl)-4-phenyl-1,3-thiazol-2-yl]amino]-2-methyl-1-oxopropan-2-yl]-4-fluorobenzamide?
The canonical SMILES for N-[1-[[5-(3,3-difluoropyrrolidine-1-carbonyl)-4-phenyl-1,3-thiazol-2-yl]amino]-2-methyl-1-oxopropan-2-yl]-4-fluorobenzamide is CC(C)(NC(=O)c1ccc(F)cc1)C(=O)Nc1nc(-c2ccccc2)c(C(=O)N2CCC(F)(F)C2)s1.
What is the InChIKey of N-[1-[[5-(3,3-difluoropyrrolidine-1-carbonyl)-4-phenyl-1,3-thiazol-2-yl]amino]-2-methyl-1-oxopropan-2-yl]-4-fluorobenzamide?
The InChIKey is WGOGINIKSSQTBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N4O3S/c1-24(2,31-20(33)16-8-10-17(26)11-9-16)22(35)30-23-29-18(15-6-4-3-5-7-15)19(36-23)21(34)32-13-12-25(27,28)14-32/h3-11H,12-14H2,1-2H3,(H,31,33)(H,29,30,35).
What are the key properties of N-[1-[[5-(3,3-difluoropyrrolidine-1-carbonyl)-4-phenyl-1,3-thiazol-2-yl]amino]-2-methyl-1-oxopropan-2-yl]-4-fluorobenzamide?
N-[1-[[5-(3,3-difluoropyrrolidine-1-carbonyl)-4-phenyl-1,3-thiazol-2-yl]amino]-2-methyl-1-oxopropan-2-yl]-4-fluorobenzamide has a molecular weight of 516.55 g/mol, XLogP of 4.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[5-(3,3-difluoropyrrolidine-1-carbonyl)-4-phenyl-1,3-thiazol-2-yl]amino]-2-methyl-1-oxopropan-2-yl]-4-fluorobenzamide is sourced from PubChem (CID 57476897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).