N-[4-[2-(4-ethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-fluorobenzamide

C20H18FN3O2S — CID 41228555

IUPACN-[4-[2-(4-ethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-fluorobenzamide
SMILESCCc1ccc(NC(=O)Cc2csc(NC(=O)c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C20H18FN3O2S/c1-2-13-3-9-16(10-4-13)22-18(25)11-17-12-27-20(23-17)24-19(26)14-5-7-15(21)8-6-14/h3-10,12H,2,11H2,1H3,(H,22,25)(H,23,24,26)
InChIKeySZZMGQFUXAXCSD-UHFFFAOYSA-N
MW383.45 g/mol
LogP4.28
Rot. Bonds6

About N-[4-[2-(4-ethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-fluorobenzamide

N-[4-[2-(4-ethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-fluorobenzamide (PubChem CID 41228555) has the molecular formula C20H18FN3O2S and a molecular weight of 383.45 g/mol. Its IUPAC name is N-[4-[2-(4-ethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[4-[2-(4-ethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-fluorobenzamide
PubChem CID41228555
Molecular FormulaC20H18FN3O2S
Molecular Weight383.45 g/mol
Exact Mass383.11
IUPAC NameN-[4-[2-(4-ethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-fluorobenzamide
SMILESCCc1ccc(NC(=O)Cc2csc(NC(=O)c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C20H18FN3O2S/c1-2-13-3-9-16(10-4-13)22-18(25)11-17-12-27-20(23-17)24-19(26)14-5-7-15(21)8-6-14/h3-10,12H,2,11H2,1H3,(H,22,25)(H,23,24,26)
InChIKeySZZMGQFUXAXCSD-UHFFFAOYSA-N
XLogP4.28
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-[2-(4-ethylanilino)-2-oxoethyl]-1,3-thiazol-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

N-[4-[2-(4-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 20930709
4-fluoro-N-[4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 41228449
ethyl 4-[[2-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetyl]amino]benzoate
CID 41211886
N-[4-[2-(4-ethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 17450354
N-[4-[2-(4-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-1,3-benzodioxole-5-carboxamide
CID 18568131
4-fluoro-N-[4-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 41228732
N-[4-[2-(2-ethoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-fluorobenzamide
CID 41228611
2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(4-ethylphenyl)acetamide
CID 26841633
N-[4-[2-(2,5-dimethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-fluorobenzamide
CID 41228676
4-[3-[2-[(4-fluorobenzoyl)amino]-1,3-thiazol-4-yl]propanoylamino]benzamide
CID 42208627
4-chloro-N-[4-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-1,3-thiazol-2-yl]benzamide
CID 18567938
4-[[2-[2-[(4-chlorobenzoyl)amino]-1,3-thiazol-4-yl]acetyl]amino]benzamide
CID 27548819

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-ethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-fluorobenzamide?
The IUPAC name of N-[4-[2-(4-ethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-fluorobenzamide (CID 41228555) is N-[4-[2-(4-ethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[4-[2-(4-ethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-fluorobenzamide?
The canonical SMILES for N-[4-[2-(4-ethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-fluorobenzamide is CCc1ccc(NC(=O)Cc2csc(NC(=O)c3ccc(F)cc3)n2)cc1.
What is the InChIKey of N-[4-[2-(4-ethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-fluorobenzamide?
The InChIKey is SZZMGQFUXAXCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2S/c1-2-13-3-9-16(10-4-13)22-18(25)11-17-12-27-20(23-17)24-19(26)14-5-7-15(21)8-6-14/h3-10,12H,2,11H2,1H3,(H,22,25)(H,23,24,26).
What are the key properties of N-[4-[2-(4-ethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-fluorobenzamide?
N-[4-[2-(4-ethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-fluorobenzamide has a molecular weight of 383.45 g/mol, XLogP of 4.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-ethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-fluorobenzamide is sourced from PubChem (CID 41228555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).