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

C20H16ClF3N2OS — CID 55515765

IUPACN-[2-(3-chlorophenyl)ethyl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
SMILESO=C(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)NCCc1cccc(Cl)c1
InChIInChI=1S/C20H16ClF3N2OS/c21-16-3-1-2-13(10-16)8-9-25-18(27)11-17-12-28-19(26-17)14-4-6-15(7-5-14)20(22,23)24/h1-7,10,12H,8-9,11H2,(H,25,27)
InChIKeyHKWGGRDXNQWRBN-UHFFFAOYSA-N
MW424.88 g/mol
LogP5.38
Rot. Bonds6

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

N-[2-(3-chlorophenyl)ethyl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide (PubChem CID 55515765) has the molecular formula C20H16ClF3N2OS and a molecular weight of 424.88 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
PubChem CID55515765
Molecular FormulaC20H16ClF3N2OS
Molecular Weight424.88 g/mol
Exact Mass424.06
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
SMILESO=C(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)NCCc1cccc(Cl)c1
InChIInChI=1S/C20H16ClF3N2OS/c21-16-3-1-2-13(10-16)8-9-25-18(27)11-17-12-28-19(26-17)14-4-6-15(7-5-14)20(22,23)24/h1-7,10,12H,8-9,11H2,(H,25,27)
InChIKeyHKWGGRDXNQWRBN-UHFFFAOYSA-N
XLogP5.38
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.88
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylphenyl)-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]acetamide
CID 7287530
N-propyl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 18152160
3-(3-chlorophenyl)-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]propanamide
CID 110624995
N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-4-(trifluoromethyl)benzamide
CID 7518387
N-(2,5-dichlorophenyl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 31701113
N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-3-(trifluoromethyl)benzamide
CID 7518338
N-methyl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 18152275
N,N-dimethyl-3-[[[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetyl]amino]methyl]benzamide
CID 46415356
N-[2-(3-chlorophenyl)ethyl]-2-[2-(piperidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide
CID 110386888
2-(2-methyl-1,3-thiazol-4-yl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 30253728
2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 9404295
4-chloro-N-[2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]butanamide
CID 7163676

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide (CID 55515765) is N-[2-(3-chlorophenyl)ethyl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide is O=C(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)NCCc1cccc(Cl)c1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide?
The InChIKey is HKWGGRDXNQWRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClF3N2OS/c21-16-3-1-2-13(10-16)8-9-25-18(27)11-17-12-28-19(26-17)14-4-6-15(7-5-14)20(22,23)24/h1-7,10,12H,8-9,11H2,(H,25,27).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide?
N-[2-(3-chlorophenyl)ethyl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide has a molecular weight of 424.88 g/mol, XLogP of 5.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 55515765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).