2,2,2-trifluoro-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]acetamide

C12H9F3N2O2S — CID 19226274

IUPAC2,2,2-trifluoro-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCOc1ccccc1-c1csc(NC(=O)C(F)(F)F)n1
InChIInChI=1S/C12H9F3N2O2S/c1-19-9-5-3-2-4-7(9)8-6-20-11(16-8)17-10(18)12(13,14)15/h2-6H,1H3,(H,16,17,18)
InChIKeyGQBXQDRUJRHIEV-UHFFFAOYSA-N
MW302.28 g/mol
LogP3.32
Rot. Bonds3

About 2,2,2-trifluoro-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]acetamide

2,2,2-trifluoro-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 19226274) has the molecular formula C12H9F3N2O2S and a molecular weight of 302.28 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID19226274
Molecular FormulaC12H9F3N2O2S
Molecular Weight302.28 g/mol
Exact Mass302.03
IUPAC Name2,2,2-trifluoro-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCOc1ccccc1-c1csc(NC(=O)C(F)(F)F)n1
InChIInChI=1S/C12H9F3N2O2S/c1-19-9-5-3-2-4-7(9)8-6-20-11(16-8)17-10(18)12(13,14)15/h2-6H,1H3,(H,16,17,18)
InChIKeyGQBXQDRUJRHIEV-UHFFFAOYSA-N
XLogP3.32
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid
CID 12689382
N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 4003372
2-amino-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylpentanamide
CID 119713341
N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 155557257
2-(2-tert-butylphenoxy)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19217769
4-amino-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]butanamide
CID 82033947
N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]quinoxaline-2-carboxamide
CID 55660760
trans-(1S,3S)-3-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 95859109
N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(methylamino)butanamide;hydrochloride
CID 119713306
2,4-dimethoxy-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 39219203
N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-1H-1,2,4-triazole-5-carboxamide
CID 46969790
2-(2,6-dichlorophenyl)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 171145197

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]acetamide (CID 19226274) is 2,2,2-trifluoro-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]acetamide is COc1ccccc1-c1csc(NC(=O)C(F)(F)F)n1.
What is the InChIKey of 2,2,2-trifluoro-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is GQBXQDRUJRHIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O2S/c1-19-9-5-3-2-4-7(9)8-6-20-11(16-8)17-10(18)12(13,14)15/h2-6H,1H3,(H,16,17,18).
What are the key properties of 2,2,2-trifluoro-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]acetamide?
2,2,2-trifluoro-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 302.28 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 19226274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).