2-[2-(2,6-dichlorophenyl)-1,3-thiazol-4-yl]-N-(4-fluorophenyl)acetamide

C17H11Cl2FN2OS — CID 8744734

IUPAC2-[2-(2,6-dichlorophenyl)-1,3-thiazol-4-yl]-N-(4-fluorophenyl)acetamide
SMILESO=C(Cc1csc(-c2c(Cl)cccc2Cl)n1)Nc1ccc(F)cc1
InChIInChI=1S/C17H11Cl2FN2OS/c18-13-2-1-3-14(19)16(13)17-22-12(9-24-17)8-15(23)21-11-6-4-10(20)5-7-11/h1-7,9H,8H2,(H,21,23)
InChIKeyUSPAXPXSYPFHFL-UHFFFAOYSA-N
MW381.26 g/mol
LogP5.44
Rot. Bonds4

About 2-[2-(2,6-dichlorophenyl)-1,3-thiazol-4-yl]-N-(4-fluorophenyl)acetamide

2-[2-(2,6-dichlorophenyl)-1,3-thiazol-4-yl]-N-(4-fluorophenyl)acetamide (PubChem CID 8744734) has the molecular formula C17H11Cl2FN2OS and a molecular weight of 381.26 g/mol. Its IUPAC name is 2-[2-(2,6-dichlorophenyl)-1,3-thiazol-4-yl]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-(2,6-dichlorophenyl)-1,3-thiazol-4-yl]-N-(4-fluorophenyl)acetamide
PubChem CID8744734
Molecular FormulaC17H11Cl2FN2OS
Molecular Weight381.26 g/mol
Exact Mass380.00
IUPAC Name2-[2-(2,6-dichlorophenyl)-1,3-thiazol-4-yl]-N-(4-fluorophenyl)acetamide
SMILESO=C(Cc1csc(-c2c(Cl)cccc2Cl)n1)Nc1ccc(F)cc1
InChIInChI=1S/C17H11Cl2FN2OS/c18-13-2-1-3-14(19)16(13)17-22-12(9-24-17)8-15(23)21-11-6-4-10(20)5-7-11/h1-7,9H,8H2,(H,21,23)
InChIKeyUSPAXPXSYPFHFL-UHFFFAOYSA-N
XLogP5.44
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.26
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetylphenyl)-2-[2-(2,6-dichlorophenyl)-1,3-thiazol-4-yl]acetamide
CID 9095733
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-(4-ethylphenyl)acetamide
CID 31013767
N-(3-chloro-2-methylphenyl)-2-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 41211916
2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-(4-phenylphenyl)acetamide
CID 16560777
N-[4-[2-(4-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 20930709
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[4-(1H-imidazol-2-yl)phenyl]acetamide
CID 60613183
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 7668155
N-tert-butyl-4-[[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]benzamide
CID 46539791
2-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-N-(4-fluorophenyl)acetamide
CID 110386782
1-(4-fluorophenyl)-3-[[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]thiourea
CID 8560600
2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-(1H-indol-6-yl)acetamide
CID 39349699

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,6-dichlorophenyl)-1,3-thiazol-4-yl]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[2-(2,6-dichlorophenyl)-1,3-thiazol-4-yl]-N-(4-fluorophenyl)acetamide (CID 8744734) is 2-[2-(2,6-dichlorophenyl)-1,3-thiazol-4-yl]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[2-(2,6-dichlorophenyl)-1,3-thiazol-4-yl]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[2-(2,6-dichlorophenyl)-1,3-thiazol-4-yl]-N-(4-fluorophenyl)acetamide is O=C(Cc1csc(-c2c(Cl)cccc2Cl)n1)Nc1ccc(F)cc1.
What is the InChIKey of 2-[2-(2,6-dichlorophenyl)-1,3-thiazol-4-yl]-N-(4-fluorophenyl)acetamide?
The InChIKey is USPAXPXSYPFHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2FN2OS/c18-13-2-1-3-14(19)16(13)17-22-12(9-24-17)8-15(23)21-11-6-4-10(20)5-7-11/h1-7,9H,8H2,(H,21,23).
What are the key properties of 2-[2-(2,6-dichlorophenyl)-1,3-thiazol-4-yl]-N-(4-fluorophenyl)acetamide?
2-[2-(2,6-dichlorophenyl)-1,3-thiazol-4-yl]-N-(4-fluorophenyl)acetamide has a molecular weight of 381.26 g/mol, XLogP of 5.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,6-dichlorophenyl)-1,3-thiazol-4-yl]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 8744734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).