N-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]-2-(4-methylphenoxy)acetamide

C21H21FN2O2S — CID 110645408

IUPACN-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NCc2nc(C)c(Cc3ccc(F)cc3)s2)cc1
InChIInChI=1S/C21H21FN2O2S/c1-14-3-9-18(10-4-14)26-13-20(25)23-12-21-24-15(2)19(27-21)11-16-5-7-17(22)8-6-16/h3-10H,11-13H2,1-2H3,(H,23,25)
InChIKeyAXPBGIYRRZQTMZ-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.19
Rot. Bonds7

About N-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]-2-(4-methylphenoxy)acetamide

N-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]-2-(4-methylphenoxy)acetamide (PubChem CID 110645408) has the molecular formula C21H21FN2O2S and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]-2-(4-methylphenoxy)acetamide
PubChem CID110645408
Molecular FormulaC21H21FN2O2S
Molecular Weight384.48 g/mol
Exact Mass384.13
IUPAC NameN-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NCc2nc(C)c(Cc3ccc(F)cc3)s2)cc1
InChIInChI=1S/C21H21FN2O2S/c1-14-3-9-18(10-4-14)26-13-20(25)23-12-21-24-15(2)19(27-21)11-16-5-7-17(22)8-6-16/h3-10H,11-13H2,1-2H3,(H,23,25)
InChIKeyAXPBGIYRRZQTMZ-UHFFFAOYSA-N
XLogP4.19
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]-2-(4-methylphenoxy)acetamide with MolForge

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Related Compounds

1-benzyl-3-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]urea
CID 110645409
N-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]cyclobutanecarboxamide
CID 110645417
2-(4-ethoxyphenoxy)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]acetamide
CID 90546349
2-fluoro-N-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]benzamide
CID 110645392
2-(4-chlorophenoxy)-N-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methyl]acetamide
CID 110421182
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(4-phenylphenoxy)acetamide
CID 121122800
N-[[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]methyl]cyclobutanecarboxamide
CID 110645371
2-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]acetic acid
CID 83970111
2-(4-chlorophenoxy)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]acetamide
CID 90546287
N-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]ethanesulfonamide
CID 110645419
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-(4-fluorophenyl)propanamide
CID 110739127
N-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]oxolane-2-carboxamide
CID 110645386

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]-2-(4-methylphenoxy)acetamide (CID 110645408) is N-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]-2-(4-methylphenoxy)acetamide is Cc1ccc(OCC(=O)NCc2nc(C)c(Cc3ccc(F)cc3)s2)cc1.
What is the InChIKey of N-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]-2-(4-methylphenoxy)acetamide?
The InChIKey is AXPBGIYRRZQTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O2S/c1-14-3-9-18(10-4-14)26-13-20(25)23-12-21-24-15(2)19(27-21)11-16-5-7-17(22)8-6-16/h3-10H,11-13H2,1-2H3,(H,23,25).
What are the key properties of N-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]-2-(4-methylphenoxy)acetamide?
N-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]-2-(4-methylphenoxy)acetamide has a molecular weight of 384.48 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 110645408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).