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

C13H11F3N2O2S2 — CID 2532827

IUPAC2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESCc1csc(SCC(=O)Nc2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C13H11F3N2O2S2/c1-8-6-21-12(17-8)22-7-11(19)18-9-2-4-10(5-3-9)20-13(14,15)16/h2-6H,7H2,1H3,(H,18,19)
InChIKeyLWYFTAUZHLXFPX-UHFFFAOYSA-N
MW348.37 g/mol
LogP4.08
Rot. Bonds5

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

2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 2532827) has the molecular formula C13H11F3N2O2S2 and a molecular weight of 348.37 g/mol. Its IUPAC name is 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID2532827
Molecular FormulaC13H11F3N2O2S2
Molecular Weight348.37 g/mol
Exact Mass348.02
IUPAC Name2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESCc1csc(SCC(=O)Nc2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C13H11F3N2O2S2/c1-8-6-21-12(17-8)22-7-11(19)18-9-2-4-10(5-3-9)20-13(14,15)16/h2-6H,7H2,1H3,(H,18,19)
InChIKeyLWYFTAUZHLXFPX-UHFFFAOYSA-N
XLogP4.08
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-Methoxy-phenyl)-3-(4-methyl-thiazol-2-ylsulfanyl)-propionamide
CID 3882075
N-(4-methoxyphenyl)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 4305027
N-(4-methoxy-2-nitrophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 4791609
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 2222346
N-(2,4-dimethoxyphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 2532623
N-(3-methoxyphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 2532845
N-(4-methoxyphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 2532889
N-(3,5-dimethoxyphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 2533046
1-[4-(4-Methoxyphenyl)piperazin-1-yl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone
CID 7406147
2-ethynyl-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 168270993
1-(4-Methoxyphenyl)-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 44423266
N-{[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]carbonyl}-N'-[4-(trifluoromethoxy)phenyl]urea
CID 1483659

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide (CID 2532827) is 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide is Cc1csc(SCC(=O)Nc2ccc(OC(F)(F)F)cc2)n1.
What is the InChIKey of 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is LWYFTAUZHLXFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O2S2/c1-8-6-21-12(17-8)22-7-11(19)18-9-2-4-10(5-3-9)20-13(14,15)16/h2-6H,7H2,1H3,(H,18,19).
What are the key properties of 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 348.37 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 2532827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).