N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide

C14H12ClF3N2OS — CID 110650696

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide
SMILESCc1nc(C)c(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)s1
InChIInChI=1S/C14H12ClF3N2OS/c1-7-12(22-8(2)19-7)6-13(21)20-11-5-9(14(16,17)18)3-4-10(11)15/h3-5H,6H2,1-2H3,(H,20,21)
InChIKeyKVJJBSAPJRFMTB-UHFFFAOYSA-N
MW348.78 g/mol
LogP4.61
Rot. Bonds3

About N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide (PubChem CID 110650696) has the molecular formula C14H12ClF3N2OS and a molecular weight of 348.78 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide
PubChem CID110650696
Molecular FormulaC14H12ClF3N2OS
Molecular Weight348.78 g/mol
Exact Mass348.03
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide
SMILESCc1nc(C)c(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)s1
InChIInChI=1S/C14H12ClF3N2OS/c1-7-12(22-8(2)19-7)6-13(21)20-11-5-9(14(16,17)18)3-4-10(11)15/h3-5H,6H2,1-2H3,(H,20,21)
InChIKeyKVJJBSAPJRFMTB-UHFFFAOYSA-N
XLogP4.61
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.78
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2,4-dimethylphenyl)acetamide
CID 100630513
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 2207657
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 110451051
N,N'-bis[2-chloro-5-(trifluoromethyl)phenyl]nonanediamide
CID 54787319
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide
CID 9458453
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[2-methyl-7-(4-methylphenyl)-4-oxo-[1,3]thiazolo[4,5-d]pyridazin-5-yl]acetamide
CID 16906021
N-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-4-methylbenzamide
CID 113000065
N-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-2-phenylacetamide
CID 113000074
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide
CID 8711935
N-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-2-(2-methylphenyl)acetamide
CID 113000084
2-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethoxy]acetate
CID 7407565
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide
CID 108806013

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide (CID 110650696) is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide is Cc1nc(C)c(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)s1.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide?
The InChIKey is KVJJBSAPJRFMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF3N2OS/c1-7-12(22-8(2)19-7)6-13(21)20-11-5-9(14(16,17)18)3-4-10(11)15/h3-5H,6H2,1-2H3,(H,20,21).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide has a molecular weight of 348.78 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide is sourced from PubChem (CID 110650696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).