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

C13H11F3N2O2S — CID 38205069

IUPAC2-(2-methyl-1,3-thiazol-4-yl)-N-[3-(trifluoromethoxy)phenyl]acetamide
SMILESCc1nc(CC(=O)Nc2cccc(OC(F)(F)F)c2)cs1
InChIInChI=1S/C13H11F3N2O2S/c1-8-17-10(7-21-8)6-12(19)18-9-3-2-4-11(5-9)20-13(14,15)16/h2-5,7H,6H2,1H3,(H,18,19)
InChIKeyINBNYGARKIPBTR-UHFFFAOYSA-N
MW316.30 g/mol
LogP3.53
Rot. Bonds4

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

2-(2-methyl-1,3-thiazol-4-yl)-N-[3-(trifluoromethoxy)phenyl]acetamide (PubChem CID 38205069) has the molecular formula C13H11F3N2O2S and a molecular weight of 316.30 g/mol. Its IUPAC name is 2-(2-methyl-1,3-thiazol-4-yl)-N-[3-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-methyl-1,3-thiazol-4-yl)-N-[3-(trifluoromethoxy)phenyl]acetamide
PubChem CID38205069
Molecular FormulaC13H11F3N2O2S
Molecular Weight316.30 g/mol
Exact Mass316.05
IUPAC Name2-(2-methyl-1,3-thiazol-4-yl)-N-[3-(trifluoromethoxy)phenyl]acetamide
SMILESCc1nc(CC(=O)Nc2cccc(OC(F)(F)F)c2)cs1
InChIInChI=1S/C13H11F3N2O2S/c1-8-17-10(7-21-8)6-12(19)18-9-3-2-4-11(5-9)20-13(14,15)16/h2-5,7H,6H2,1H3,(H,18,19)
InChIKeyINBNYGARKIPBTR-UHFFFAOYSA-N
XLogP3.53
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.30
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]benzoate
CID 9123441
N-(3-acetamidophenyl)-2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]acetamide
CID 30941086
N-[3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]butanamide
CID 87026123
2-(2-methyl-1,3-thiazol-4-yl)-N-(3-nitrophenyl)acetamide
CID 19242160
N-(3-methylsulfonylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 34236869
2-methoxy-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 60725062
N-(2-methyl-4-pyridinyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 110463240
N-(2,6-difluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 110463255
2-(2-amino-1,3-thiazol-4-yl)-N-(3-ethoxyphenyl)acetamide
CID 62800309
N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 71853136
2-(2,2,2-trifluoroethylamino)-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 78924197
4-(5-methylthiophen-2-yl)-4-oxo-N-[3-(trifluoromethoxy)phenyl]butanamide
CID 38206582

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-N-[3-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-N-[3-(trifluoromethoxy)phenyl]acetamide (CID 38205069) is 2-(2-methyl-1,3-thiazol-4-yl)-N-[3-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(2-methyl-1,3-thiazol-4-yl)-N-[3-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-(2-methyl-1,3-thiazol-4-yl)-N-[3-(trifluoromethoxy)phenyl]acetamide is Cc1nc(CC(=O)Nc2cccc(OC(F)(F)F)c2)cs1.
What is the InChIKey of 2-(2-methyl-1,3-thiazol-4-yl)-N-[3-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is INBNYGARKIPBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O2S/c1-8-17-10(7-21-8)6-12(19)18-9-3-2-4-11(5-9)20-13(14,15)16/h2-5,7H,6H2,1H3,(H,18,19).
What are the key properties of 2-(2-methyl-1,3-thiazol-4-yl)-N-[3-(trifluoromethoxy)phenyl]acetamide?
2-(2-methyl-1,3-thiazol-4-yl)-N-[3-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 316.30 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-thiazol-4-yl)-N-[3-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 38205069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).