2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide

C16H14FN3O2S2 — CID 24617738

IUPAC2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide
SMILESCn1ccs/c1=N/C(=O)Cc1csc(COc2ccc(F)cc2)n1
InChIInChI=1S/C16H14FN3O2S2/c1-20-6-7-23-16(20)19-14(21)8-12-10-24-15(18-12)9-22-13-4-2-11(17)3-5-13/h2-7,10H,8-9H2,1H3/b19-16+
InChIKeyOLWLCGFLKVJBBZ-KNTRCKAVSA-N
MW363.44 g/mol
LogP2.93
Rot. Bonds5

About 2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide

2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide (PubChem CID 24617738) has the molecular formula C16H14FN3O2S2 and a molecular weight of 363.44 g/mol. Its IUPAC name is 2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide.

Molecular Properties

Compound Name2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide
PubChem CID24617738
Molecular FormulaC16H14FN3O2S2
Molecular Weight363.44 g/mol
Exact Mass363.05
IUPAC Name2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide
SMILESCn1ccs/c1=N/C(=O)Cc1csc(COc2ccc(F)cc2)n1
InChIInChI=1S/C16H14FN3O2S2/c1-20-6-7-23-16(20)19-14(21)8-12-10-24-15(18-12)9-22-13-4-2-11(17)3-5-13/h2-7,10H,8-9H2,1H3/b19-16+
InChIKeyOLWLCGFLKVJBBZ-KNTRCKAVSA-N
XLogP2.93
TPSA56.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(3-methyl-1,3-thiazol-2-ylidene)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-(4-methoxyphenoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide
CID 51146790
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-ethyl-N-(4-fluorophenyl)acetamide
CID 18272289
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]ethanone
CID 50753541
2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(2-methyl-1-phenylpropyl)acetamide
CID 18145151
2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 24616243
[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl 2-(2-fluorophenyl)acetate
CID 55422373
N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 51267222
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]ethanone
CID 18276480
4-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methoxy]benzaldehyde
CID 52554108
2-[(4-fluorophenoxy)methyl]-N-methoxy-1,3-thiazole-4-carboxamide
CID 33104782
ethyl 2-[[2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 30758441
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 24672411

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide?
The IUPAC name of 2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide (CID 24617738) is 2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide.
What is the SMILES notation for 2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide?
The canonical SMILES for 2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide is Cn1ccs/c1=N/C(=O)Cc1csc(COc2ccc(F)cc2)n1.
What is the InChIKey of 2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide?
The InChIKey is OLWLCGFLKVJBBZ-KNTRCKAVSA-N. The full InChI is InChI=1S/C16H14FN3O2S2/c1-20-6-7-23-16(20)19-14(21)8-12-10-24-15(18-12)9-22-13-4-2-11(17)3-5-13/h2-7,10H,8-9H2,1H3/b19-16+.
What are the key properties of 2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide?
2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide has a molecular weight of 363.44 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide is sourced from PubChem (CID 24617738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).