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

C13H11F3N2OS — CID 24534982

IUPACN-(4-methyl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCc1csc(NC(=O)Cc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C13H11F3N2OS/c1-8-7-20-12(17-8)18-11(19)6-9-2-4-10(5-3-9)13(14,15)16/h2-5,7H,6H2,1H3,(H,17,18,19)
InChIKeyWCKYKNLICYNSLL-UHFFFAOYSA-N
MW300.31 g/mol
LogP3.65
Rot. Bonds3

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

N-(4-methyl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 24534982) has the molecular formula C13H11F3N2OS and a molecular weight of 300.31 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID24534982
Molecular FormulaC13H11F3N2OS
Molecular Weight300.31 g/mol
Exact Mass300.05
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCc1csc(NC(=O)Cc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C13H11F3N2OS/c1-8-7-20-12(17-8)18-11(19)6-9-2-4-10(5-3-9)13(14,15)16/h2-5,7H,6H2,1H3,(H,17,18,19)
InChIKeyWCKYKNLICYNSLL-UHFFFAOYSA-N
XLogP3.65
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methyl-1,3-thiazol-2-yl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 18288555
2-(4-bromophenyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 798801
2-(4-butylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 30273255
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 24534791
N-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylacetamide
CID 6486768
N-(4-methyl-1,3-thiazol-2-yl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 84560120
N-(4-methyl-1,3-thiazol-2-yl)-2-(4-morpholin-4-ylphenyl)acetamide
CID 110675165
N-[3-(dimethylamino)propyl]-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 3450802
N-(4-methyl-1,3-thiazol-2-yl)-3-[(2-phenylacetyl)amino]propanamide
CID 18134838
N-(4-methyl-1,3-thiazol-2-yl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 7959042
3-amino-N-(4-methyl-1,3-thiazol-2-yl)-3-sulfanylidenepropanamide
CID 43120468
2-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzoic acid
CID 104601339

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]acetamide (CID 24534982) is N-(4-methyl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]acetamide is Cc1csc(NC(=O)Cc2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is WCKYKNLICYNSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2OS/c1-8-7-20-12(17-8)18-11(19)6-9-2-4-10(5-3-9)13(14,15)16/h2-5,7H,6H2,1H3,(H,17,18,19).
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]acetamide?
N-(4-methyl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 300.31 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 24534982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).