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

C21H21FN2O2S — CID 7518133

IUPACN-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCCc2sc(-c3cccc(F)c3)nc2C)cc1
InChIInChI=1S/C21H21FN2O2S/c1-14-19(27-21(24-14)16-4-3-5-17(22)13-16)10-11-23-20(25)12-15-6-8-18(26-2)9-7-15/h3-9,13H,10-12H2,1-2H3,(H,23,25)
InChIKeyUMSOGALGNZBZDY-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.17
Rot. Bonds7

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

N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(4-methoxyphenyl)acetamide (PubChem CID 7518133) has the molecular formula C21H21FN2O2S and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(4-methoxyphenyl)acetamide
PubChem CID7518133
Molecular FormulaC21H21FN2O2S
Molecular Weight384.48 g/mol
Exact Mass384.13
IUPAC NameN-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCCc2sc(-c3cccc(F)c3)nc2C)cc1
InChIInChI=1S/C21H21FN2O2S/c1-14-19(27-21(24-14)16-4-3-5-17(22)13-16)10-11-23-20(25)12-15-6-8-18(26-2)9-7-15/h3-9,13H,10-12H2,1-2H3,(H,23,25)
InChIKeyUMSOGALGNZBZDY-UHFFFAOYSA-N
XLogP4.17
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 ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methoxyphenyl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 2796264
4-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 852133
2-Aminomethyl-4,5-bis(4-methoxyphenyl)thiazole
CID 9973662
4,5-bis(4-methoxyphenyl)-2-(N,N-dimethylcarbamoyl)thiazole
CID 10021953
1-[[4,5-Bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-3-methylurea
CID 10022853
2-Acetylaminomethyl-4,5-bis(4-methoxyphenyl)thiazole
CID 10044540
N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-phenylsulfanylacetamide
CID 10050685
N,N-diethyl-4,5-bis(4-methoxyphenyl)-1,3-thiazole-2-carboxamide
CID 10069331
N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 10253234
N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-methylsulfanylacetamide
CID 10364476
4,5-Bis(4-methoxyphenyl)-2-(3-isopropylureidomethyl)thiazole
CID 10431761
2-(4-(4-Fluorophenyl)-2-((4-methoxyphenyl)(phenyl)methyl)thiazol-5-yl)acetic acid
CID 11697751

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(4-methoxyphenyl)acetamide (CID 7518133) is N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)NCCc2sc(-c3cccc(F)c3)nc2C)cc1.
What is the InChIKey of N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is UMSOGALGNZBZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O2S/c1-14-19(27-21(24-14)16-4-3-5-17(22)13-16)10-11-23-20(25)12-15-6-8-18(26-2)9-7-15/h3-9,13H,10-12H2,1-2H3,(H,23,25).
What are the key properties of N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(4-methoxyphenyl)acetamide?
N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 384.48 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 7518133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).