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

C21H21FN2O2S2 — CID 16900678

IUPAC2-[2-[(2-fluorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)Cc2csc(SCc3ccccc3F)n2)cc1
InChIInChI=1S/C21H21FN2O2S2/c1-26-18-8-6-15(7-9-18)10-11-23-20(25)12-17-14-28-21(24-17)27-13-16-4-2-3-5-19(16)22/h2-9,14H,10-13H2,1H3,(H,23,25)
InChIKeyBHJNEYOVYUBFIG-UHFFFAOYSA-N
MW416.54 g/mol
LogP4.48
Rot. Bonds9

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

2-[2-[(2-fluorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide (PubChem CID 16900678) has the molecular formula C21H21FN2O2S2 and a molecular weight of 416.54 g/mol. Its IUPAC name is 2-[2-[(2-fluorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[2-[(2-fluorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
PubChem CID16900678
Molecular FormulaC21H21FN2O2S2
Molecular Weight416.54 g/mol
Exact Mass416.10
IUPAC Name2-[2-[(2-fluorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)Cc2csc(SCc3ccccc3F)n2)cc1
InChIInChI=1S/C21H21FN2O2S2/c1-26-18-8-6-15(7-9-18)10-11-23-20(25)12-17-14-28-21(24-17)27-13-16-4-2-3-5-19(16)22/h2-9,14H,10-13H2,1H3,(H,23,25)
InChIKeyBHJNEYOVYUBFIG-UHFFFAOYSA-N
XLogP4.48
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-2-[2-[(4-methylphenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetamide
CID 16900302
2-[2-[(2-fluorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(4-methoxyphenyl)acetamide
CID 16900699
2-[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 16899152
2-[2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 16898863
2-[2-[(4-bromophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 16900143
2-[2-[(2-fluorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 16900730
2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 31976871
2-[2-[(4-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(2-methoxyethyl)acetamide
CID 16899938
2-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-propylacetamide
CID 16899798
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 16591047
2-[2-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 16899362
N-[2-(2-fluorophenyl)ethyl]-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 9490539

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-fluorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[2-[(2-fluorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide (CID 16900678) is 2-[2-[(2-fluorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[2-[(2-fluorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[2-[(2-fluorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide is COc1ccc(CCNC(=O)Cc2csc(SCc3ccccc3F)n2)cc1.
What is the InChIKey of 2-[2-[(2-fluorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The InChIKey is BHJNEYOVYUBFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O2S2/c1-26-18-8-6-15(7-9-18)10-11-23-20(25)12-17-14-28-21(24-17)27-13-16-4-2-3-5-19(16)22/h2-9,14H,10-13H2,1H3,(H,23,25).
What are the key properties of 2-[2-[(2-fluorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide?
2-[2-[(2-fluorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide has a molecular weight of 416.54 g/mol, XLogP of 4.48, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-fluorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 16900678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).