2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(3-fluorophenyl)acetamide

C17H12ClFN2OS — CID 31013739

IUPAC2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(3-fluorophenyl)acetamide
SMILESO=C(Cc1csc(-c2ccccc2Cl)n1)Nc1cccc(F)c1
InChIInChI=1S/C17H12ClFN2OS/c18-15-7-2-1-6-14(15)17-21-13(10-23-17)9-16(22)20-12-5-3-4-11(19)8-12/h1-8,10H,9H2,(H,20,22)
InChIKeyXQNUOLUXEPLZGZ-UHFFFAOYSA-N
MW346.81 g/mol
LogP4.78
Rot. Bonds4

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

2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(3-fluorophenyl)acetamide (PubChem CID 31013739) has the molecular formula C17H12ClFN2OS and a molecular weight of 346.81 g/mol. Its IUPAC name is 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(3-fluorophenyl)acetamide
PubChem CID31013739
Molecular FormulaC17H12ClFN2OS
Molecular Weight346.81 g/mol
Exact Mass346.03
IUPAC Name2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(3-fluorophenyl)acetamide
SMILESO=C(Cc1csc(-c2ccccc2Cl)n1)Nc1cccc(F)c1
InChIInChI=1S/C17H12ClFN2OS/c18-15-7-2-1-6-14(15)17-21-13(10-23-17)9-16(22)20-12-5-3-4-11(19)8-12/h1-8,10H,9H2,(H,20,22)
InChIKeyXQNUOLUXEPLZGZ-UHFFFAOYSA-N
XLogP4.78
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylacetamide
CID 30795401
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 7668155
[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9250407
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(1,3-dithiolan-2-yl)phenyl]acetamide
CID 31445049
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 38828534
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(4-ethylphenyl)acetamide
CID 31013767
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide
CID 38808969
2-[2-(2,6-dichlorophenyl)-1,3-thiazol-4-yl]-N-(4-fluorophenyl)acetamide
CID 8744734
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(2-methylphenyl)acetamide
CID 7667740
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 55388414
N-(3-acetylphenyl)-2-[2-(2,6-dichlorophenyl)-1,3-thiazol-4-yl]acetamide
CID 9095733
N-tert-butyl-4-[[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]benzamide
CID 46539791

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(3-fluorophenyl)acetamide (CID 31013739) is 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(3-fluorophenyl)acetamide is O=C(Cc1csc(-c2ccccc2Cl)n1)Nc1cccc(F)c1.
What is the InChIKey of 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(3-fluorophenyl)acetamide?
The InChIKey is XQNUOLUXEPLZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFN2OS/c18-15-7-2-1-6-14(15)17-21-13(10-23-17)9-16(22)20-12-5-3-4-11(19)8-12/h1-8,10H,9H2,(H,20,22).
What are the key properties of 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(3-fluorophenyl)acetamide?
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(3-fluorophenyl)acetamide has a molecular weight of 346.81 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 31013739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).