2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylacetamide

C20H17ClFN3O2S — CID 30795401

IUPAC2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylacetamide
SMILESCN(CC(=O)Nc1cccc(F)c1)C(=O)Cc1csc(-c2ccccc2Cl)n1
InChIInChI=1S/C20H17ClFN3O2S/c1-25(11-18(26)23-14-6-4-5-13(22)9-14)19(27)10-15-12-28-20(24-15)16-7-2-3-8-17(16)21/h2-9,12H,10-11H2,1H3,(H,23,26)
InChIKeyTUJLGZKJVJEUNO-UHFFFAOYSA-N
MW417.89 g/mol
LogP4.24
Rot. Bonds6

About 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylacetamide

2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylacetamide (PubChem CID 30795401) has the molecular formula C20H17ClFN3O2S and a molecular weight of 417.89 g/mol. Its IUPAC name is 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylacetamide
PubChem CID30795401
Molecular FormulaC20H17ClFN3O2S
Molecular Weight417.89 g/mol
Exact Mass417.07
IUPAC Name2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylacetamide
SMILESCN(CC(=O)Nc1cccc(F)c1)C(=O)Cc1csc(-c2ccccc2Cl)n1
InChIInChI=1S/C20H17ClFN3O2S/c1-25(11-18(26)23-14-6-4-5-13(22)9-14)19(27)10-15-12-28-20(24-15)16-7-2-3-8-17(16)21/h2-9,12H,10-11H2,1H3,(H,23,26)
InChIKeyTUJLGZKJVJEUNO-UHFFFAOYSA-N
XLogP4.24
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.89
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(3-fluorophenyl)acetamide
CID 31013739
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 46636397
[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9250407
2-(2-chloro-6-fluorophenyl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylacetamide
CID 7719443
2-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl-methylamino]-N-(3-methoxyphenyl)acetamide
CID 9198496
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 7668155
N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 33290955
2-[2-(2,4-dimethylphenyl)-1,3-thiazol-4-yl]-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide
CID 17489217
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(4-ethylphenyl)acetamide
CID 31013767
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 2475163
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide
CID 38808969
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 51206974

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylacetamide?
The IUPAC name of 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylacetamide (CID 30795401) is 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylacetamide.
What is the SMILES notation for 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylacetamide?
The canonical SMILES for 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylacetamide is CN(CC(=O)Nc1cccc(F)c1)C(=O)Cc1csc(-c2ccccc2Cl)n1.
What is the InChIKey of 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylacetamide?
The InChIKey is TUJLGZKJVJEUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFN3O2S/c1-25(11-18(26)23-14-6-4-5-13(22)9-14)19(27)10-15-12-28-20(24-15)16-7-2-3-8-17(16)21/h2-9,12H,10-11H2,1H3,(H,23,26).
What are the key properties of 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylacetamide?
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylacetamide has a molecular weight of 417.89 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylacetamide is sourced from PubChem (CID 30795401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).