N-[5-[(4-fluoro-3-methylphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-phenylmethoxyacetamide

C21H21FN2O2S — CID 177147532

IUPACN-[5-[(4-fluoro-3-methylphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-phenylmethoxyacetamide
SMILESCc1cc(Cc2sc(NC(=O)COCc3ccccc3)nc2C)ccc1F
InChIInChI=1S/C21H21FN2O2S/c1-14-10-17(8-9-18(14)22)11-19-15(2)23-21(27-19)24-20(25)13-26-12-16-6-4-3-5-7-16/h3-10H,11-13H2,1-2H3,(H,23,24,25)
InChIKeyYYJAGFJECSPWSZ-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.65
Rot. Bonds7

About N-[5-[(4-fluoro-3-methylphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-phenylmethoxyacetamide

N-[5-[(4-fluoro-3-methylphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-phenylmethoxyacetamide (PubChem CID 177147532) has the molecular formula C21H21FN2O2S and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[5-[(4-fluoro-3-methylphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-phenylmethoxyacetamide.

Molecular Properties

Compound NameN-[5-[(4-fluoro-3-methylphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-phenylmethoxyacetamide
PubChem CID177147532
Molecular FormulaC21H21FN2O2S
Molecular Weight384.48 g/mol
Exact Mass384.13
IUPAC NameN-[5-[(4-fluoro-3-methylphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-phenylmethoxyacetamide
SMILESCc1cc(Cc2sc(NC(=O)COCc3ccccc3)nc2C)ccc1F
InChIInChI=1S/C21H21FN2O2S/c1-14-10-17(8-9-18(14)22)11-19-15(2)23-21(27-19)24-20(25)13-26-12-16-6-4-3-5-7-16/h3-10H,11-13H2,1-2H3,(H,23,24,25)
InChIKeyYYJAGFJECSPWSZ-UHFFFAOYSA-N
XLogP4.65
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 ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-{5-benzyl-4-[(benzyloxy)methyl]-1,3-thiazol-2-yl}propanamide
CID 23646355
Ethyl 4-methyl-2-[(2-phenylmethoxyacetyl)amino]-1,3-thiazole-5-carboxylate
CID 90655331
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[2-(4-fluorophenyl)morpholin-4-yl]acetamide
CID 45872232
2-[(4-fluorophenyl)methoxy]-N-[5-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]pentyl]acetamide
CID 11952841
N-[5-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]pentyl]-2-[(4-fluorophenyl)methoxy]acetamide
CID 11952842
N-(5-(2-acetamidothiazol-4-yl)pentyl)-2-(4-fluorobenzyloxy)acetamide
CID 11952883
Benzyl-(4-metamethylphenyl-2-thiazolyl)-oxamate
CID 24832520
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-phenylmethoxyacetamide
CID 25026752
2-[[3-[5-(2-Acetamido-1,3-thiazol-4-yl)pentyl]-4-fluorophenyl]methoxy]acetamide
CID 87806805
2-[(4-fluorophenyl)methoxy]-N-[5-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]pentyl]acetamide
CID 87930818
2-[(4-fluorophenyl)methoxy]-N-[5-[2-(propylcarbamoylamino)-1,3-thiazol-4-yl]pentyl]acetamide
CID 87930823
(2R)-N-[5-[2-(cyclohexyloxymethyl)phenyl]-4-methyl-1,3-thiazol-2-yl]-2-(3,5-difluorophenyl)-2-hydroxyacetamide
CID 87951275

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-fluoro-3-methylphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-phenylmethoxyacetamide?
The IUPAC name of N-[5-[(4-fluoro-3-methylphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-phenylmethoxyacetamide (CID 177147532) is N-[5-[(4-fluoro-3-methylphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-phenylmethoxyacetamide.
What is the SMILES notation for N-[5-[(4-fluoro-3-methylphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-phenylmethoxyacetamide?
The canonical SMILES for N-[5-[(4-fluoro-3-methylphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-phenylmethoxyacetamide is Cc1cc(Cc2sc(NC(=O)COCc3ccccc3)nc2C)ccc1F.
What is the InChIKey of N-[5-[(4-fluoro-3-methylphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-phenylmethoxyacetamide?
The InChIKey is YYJAGFJECSPWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O2S/c1-14-10-17(8-9-18(14)22)11-19-15(2)23-21(27-19)24-20(25)13-26-12-16-6-4-3-5-7-16/h3-10H,11-13H2,1-2H3,(H,23,24,25).
What are the key properties of N-[5-[(4-fluoro-3-methylphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-phenylmethoxyacetamide?
N-[5-[(4-fluoro-3-methylphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-phenylmethoxyacetamide has a molecular weight of 384.48 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-fluoro-3-methylphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-phenylmethoxyacetamide is sourced from PubChem (CID 177147532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).