4-fluoro-N-[3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]benzamide

C21H20FN3O2S — CID 23442573

IUPAC4-fluoro-N-[3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]benzamide
SMILESCc1ccccc1C(=O)c1cnc(NCCCNC(=O)c2ccc(F)cc2)s1
InChIInChI=1S/C21H20FN3O2S/c1-14-5-2-3-6-17(14)19(26)18-13-25-21(28-18)24-12-4-11-23-20(27)15-7-9-16(22)10-8-15/h2-3,5-10,13H,4,11-12H2,1H3,(H,23,27)(H,24,25)
InChIKeyWSWJBSJLYYLVKZ-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.05
Rot. Bonds8

About 4-fluoro-N-[3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]benzamide

4-fluoro-N-[3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]benzamide (PubChem CID 23442573) has the molecular formula C21H20FN3O2S and a molecular weight of 397.48 g/mol. Its IUPAC name is 4-fluoro-N-[3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]benzamide
PubChem CID23442573
Molecular FormulaC21H20FN3O2S
Molecular Weight397.48 g/mol
Exact Mass397.13
IUPAC Name4-fluoro-N-[3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]benzamide
SMILESCc1ccccc1C(=O)c1cnc(NCCCNC(=O)c2ccc(F)cc2)s1
InChIInChI=1S/C21H20FN3O2S/c1-14-5-2-3-6-17(14)19(26)18-13-25-21(28-18)24-12-4-11-23-20(27)15-7-9-16(22)10-8-15/h2-3,5-10,13H,4,11-12H2,1H3,(H,23,27)(H,24,25)
InChIKeyWSWJBSJLYYLVKZ-UHFFFAOYSA-N
XLogP4.05
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-fluoro-N-[3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]benzamide 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-(3-aminopropylamino)-1,3-thiazol-5-yl]-(2-methylphenyl)methanone
CID 23442548
5-fluoro-2-methyl-N-[5-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]pentyl]benzenesulfonamide
CID 23442503
1-cyclohexyl-3-[3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]urea
CID 23442545
5-fluoro-N,2-dimethyl-N-[3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]benzenesulfonamide
CID 23442639
1-[3-[[5-(2-ethylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]-3-(4-fluorophenyl)urea
CID 23442749
3-fluoro-N-methyl-N-[3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]benzenesulfonamide
CID 23442586
[2-(ethylamino)-1,3-thiazol-5-yl]-(2-methylphenyl)methanone;propan-1-amine;hydrochloride
CID 142276499
2-[4-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]butyl]benzenesulfonamide
CID 141075227
4-fluoro-N-[3-[[5-(4-methylpyridine-3-carbonyl)-1,3-thiazol-2-yl]amino]propyl]benzenesulfonamide
CID 23442746
N-[5-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]pentyl]thiophene-3-sulfonamide
CID 90709866
4-fluoro-N-[3-[(4-fluorobenzoyl)amino]propyl]benzamide
CID 2841750
4-fluoro-N-[3-[(4-methylpyrimidin-2-yl)amino]propyl]benzamide
CID 133309502

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]benzamide?
The IUPAC name of 4-fluoro-N-[3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]benzamide (CID 23442573) is 4-fluoro-N-[3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]benzamide?
The canonical SMILES for 4-fluoro-N-[3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]benzamide is Cc1ccccc1C(=O)c1cnc(NCCCNC(=O)c2ccc(F)cc2)s1.
What is the InChIKey of 4-fluoro-N-[3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]benzamide?
The InChIKey is WSWJBSJLYYLVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2S/c1-14-5-2-3-6-17(14)19(26)18-13-25-21(28-18)24-12-4-11-23-20(27)15-7-9-16(22)10-8-15/h2-3,5-10,13H,4,11-12H2,1H3,(H,23,27)(H,24,25).
What are the key properties of 4-fluoro-N-[3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]benzamide?
4-fluoro-N-[3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]benzamide has a molecular weight of 397.48 g/mol, XLogP of 4.05, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]benzamide is sourced from PubChem (CID 23442573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).