2-(2-fluorophenoxy)-N-(oxolan-2-ylmethyl)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide

C21H18F4N2O4S — CID 90602363

IUPAC2-(2-fluorophenoxy)-N-(oxolan-2-ylmethyl)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide
SMILESO=C(COc1ccccc1F)N(CC1CCCO1)c1nc2ccc(OC(F)(F)F)cc2s1
InChIInChI=1S/C21H18F4N2O4S/c22-15-5-1-2-6-17(15)30-12-19(28)27(11-14-4-3-9-29-14)20-26-16-8-7-13(10-18(16)32-20)31-21(23,24)25/h1-2,5-8,10,14H,3-4,9,11-12H2
InChIKeyZWEUZHSLZBXNOU-UHFFFAOYSA-N
MW470.44 g/mol
LogP4.93
Rot. Bonds7

About 2-(2-fluorophenoxy)-N-(oxolan-2-ylmethyl)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide

2-(2-fluorophenoxy)-N-(oxolan-2-ylmethyl)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide (PubChem CID 90602363) has the molecular formula C21H18F4N2O4S and a molecular weight of 470.44 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-N-(oxolan-2-ylmethyl)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-N-(oxolan-2-ylmethyl)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide
PubChem CID90602363
Molecular FormulaC21H18F4N2O4S
Molecular Weight470.44 g/mol
Exact Mass470.09
IUPAC Name2-(2-fluorophenoxy)-N-(oxolan-2-ylmethyl)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide
SMILESO=C(COc1ccccc1F)N(CC1CCCO1)c1nc2ccc(OC(F)(F)F)cc2s1
InChIInChI=1S/C21H18F4N2O4S/c22-15-5-1-2-6-17(15)30-12-19(28)27(11-14-4-3-9-29-14)20-26-16-8-7-13(10-18(16)32-20)31-21(23,24)25/h1-2,5-8,10,14H,3-4,9,11-12H2
InChIKeyZWEUZHSLZBXNOU-UHFFFAOYSA-N
XLogP4.93
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.44
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1,2-benzoxazol-3-yl)-N-(oxolan-2-ylmethyl)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide
CID 90602369
N-(1,3-benzothiazol-2-yl)-2-(2-chlorophenoxy)-N-(oxolan-2-ylmethyl)acetamide
CID 4813469
N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]-2-phenoxyacetamide
CID 8703132
4-methyl-N-(oxolan-2-ylmethyl)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]thiadiazole-5-carboxamide
CID 90602376
N-(1,3-benzothiazol-2-yl)-2-(4-chloro-3-methylphenoxy)-N-(oxolan-2-ylmethyl)acetamide
CID 4016010
N-(1,3-benzothiazol-2-yl)-2-(2-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 2522203
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-naphthalen-2-yl-N-(oxolan-2-ylmethyl)acetamide
CID 16849749
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 8719354
N-(1,3-benzothiazol-2-yl)-2-(2,5-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 78804293
N-(1,3-benzothiazol-2-yl)-3-(2,5-difluorophenyl)-N-(oxolan-2-ylmethyl)propanamide
CID 60564321
N-(1,3-benzothiazol-2-yl)-2-(4-ethoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 8720144
N-(1,3-benzothiazol-2-yl)-4-(difluoromethoxy)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 7830890

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-N-(oxolan-2-ylmethyl)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide?
The IUPAC name of 2-(2-fluorophenoxy)-N-(oxolan-2-ylmethyl)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide (CID 90602363) is 2-(2-fluorophenoxy)-N-(oxolan-2-ylmethyl)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide.
What is the SMILES notation for 2-(2-fluorophenoxy)-N-(oxolan-2-ylmethyl)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide?
The canonical SMILES for 2-(2-fluorophenoxy)-N-(oxolan-2-ylmethyl)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide is O=C(COc1ccccc1F)N(CC1CCCO1)c1nc2ccc(OC(F)(F)F)cc2s1.
What is the InChIKey of 2-(2-fluorophenoxy)-N-(oxolan-2-ylmethyl)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide?
The InChIKey is ZWEUZHSLZBXNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F4N2O4S/c22-15-5-1-2-6-17(15)30-12-19(28)27(11-14-4-3-9-29-14)20-26-16-8-7-13(10-18(16)32-20)31-21(23,24)25/h1-2,5-8,10,14H,3-4,9,11-12H2.
What are the key properties of 2-(2-fluorophenoxy)-N-(oxolan-2-ylmethyl)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide?
2-(2-fluorophenoxy)-N-(oxolan-2-ylmethyl)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide has a molecular weight of 470.44 g/mol, XLogP of 4.93, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-N-(oxolan-2-ylmethyl)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide is sourced from PubChem (CID 90602363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).