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

C19H14ClF3N2O2S — CID 38828534

IUPAC2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(2,2,2-trifluoroethoxy)phenyl]acetamide
SMILESO=C(Cc1csc(-c2ccccc2Cl)n1)Nc1cccc(OCC(F)(F)F)c1
InChIInChI=1S/C19H14ClF3N2O2S/c20-16-7-2-1-6-15(16)18-25-13(10-28-18)9-17(26)24-12-4-3-5-14(8-12)27-11-19(21,22)23/h1-8,10H,9,11H2,(H,24,26)
InChIKeyDTZMJHLFZGJEPC-UHFFFAOYSA-N
MW426.85 g/mol
LogP5.59
Rot. Bonds6

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

2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(2,2,2-trifluoroethoxy)phenyl]acetamide (PubChem CID 38828534) has the molecular formula C19H14ClF3N2O2S and a molecular weight of 426.85 g/mol. Its IUPAC name is 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(2,2,2-trifluoroethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(2,2,2-trifluoroethoxy)phenyl]acetamide
PubChem CID38828534
Molecular FormulaC19H14ClF3N2O2S
Molecular Weight426.85 g/mol
Exact Mass426.04
IUPAC Name2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(2,2,2-trifluoroethoxy)phenyl]acetamide
SMILESO=C(Cc1csc(-c2ccccc2Cl)n1)Nc1cccc(OCC(F)(F)F)c1
InChIInChI=1S/C19H14ClF3N2O2S/c20-16-7-2-1-6-15(16)18-25-13(10-28-18)9-17(26)24-12-4-3-5-14(8-12)27-11-19(21,22)23/h1-8,10H,9,11H2,(H,24,26)
InChIKeyDTZMJHLFZGJEPC-UHFFFAOYSA-N
XLogP5.59
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.85
LogP ≤ 55.59
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-(trifluoromethyl)phenyl]acetamide
CID 7668155
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-(1,3-dithiolan-2-yl)phenyl]acetamide
CID 31445049
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-[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-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(2-phenoxyethyl)acetamide
CID 30859184
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
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 55507894

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(2,2,2-trifluoroethoxy)phenyl]acetamide?
The IUPAC name of 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(2,2,2-trifluoroethoxy)phenyl]acetamide (CID 38828534) is 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(2,2,2-trifluoroethoxy)phenyl]acetamide.
What is the SMILES notation for 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(2,2,2-trifluoroethoxy)phenyl]acetamide?
The canonical SMILES for 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(2,2,2-trifluoroethoxy)phenyl]acetamide is O=C(Cc1csc(-c2ccccc2Cl)n1)Nc1cccc(OCC(F)(F)F)c1.
What is the InChIKey of 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(2,2,2-trifluoroethoxy)phenyl]acetamide?
The InChIKey is DTZMJHLFZGJEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF3N2O2S/c20-16-7-2-1-6-15(16)18-25-13(10-28-18)9-17(26)24-12-4-3-5-14(8-12)27-11-19(21,22)23/h1-8,10H,9,11H2,(H,24,26).
What are the key properties of 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(2,2,2-trifluoroethoxy)phenyl]acetamide?
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(2,2,2-trifluoroethoxy)phenyl]acetamide has a molecular weight of 426.85 g/mol, XLogP of 5.59, 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-[3-(2,2,2-trifluoroethoxy)phenyl]acetamide is sourced from PubChem (CID 38828534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).