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

C18H12ClF3N2OS — CID 7668155

IUPAC2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1csc(-c2ccccc2Cl)n1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H12ClF3N2OS/c19-15-7-2-1-6-14(15)17-24-13(10-26-17)9-16(25)23-12-5-3-4-11(8-12)18(20,21)22/h1-8,10H,9H2,(H,23,25)
InChIKeyPMUPEOBEFBNVEW-UHFFFAOYSA-N
MW396.82 g/mol
LogP5.66
Rot. Bonds4

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

2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 7668155) has the molecular formula C18H12ClF3N2OS and a molecular weight of 396.82 g/mol. Its IUPAC name is 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID7668155
Molecular FormulaC18H12ClF3N2OS
Molecular Weight396.82 g/mol
Exact Mass396.03
IUPAC Name2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1csc(-c2ccccc2Cl)n1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H12ClF3N2OS/c19-15-7-2-1-6-14(15)17-24-13(10-26-17)9-16(25)23-12-5-3-4-11(8-12)18(20,21)22/h1-8,10H,9H2,(H,23,25)
InChIKeyPMUPEOBEFBNVEW-UHFFFAOYSA-N
XLogP5.66
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.82
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 38828534
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(1,3-dithiolan-2-yl)phenyl]acetamide
CID 31445049
N-(3-chloro-4-fluorophenyl)-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetamide
CID 30940704
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methoxyacetamide
CID 51279381
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide
CID 36580046
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-(methylcarbamoylamino)-1,3-thiazol-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 21321154
N-tert-butyl-4-[[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]benzamide
CID 46539791
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-(2-methylphenyl)acetamide
CID 7667740

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide (CID 7668155) is 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide is O=C(Cc1csc(-c2ccccc2Cl)n1)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is PMUPEOBEFBNVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClF3N2OS/c19-15-7-2-1-6-14(15)17-24-13(10-26-17)9-16(25)23-12-5-3-4-11(8-12)18(20,21)22/h1-8,10H,9H2,(H,23,25).
What are the key properties of 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 396.82 g/mol, XLogP of 5.66, 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-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 7668155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).