2-(1,3-benzothiazol-2-ylmethoxy)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide

C18H15F3N2O3S — CID 18283867

IUPAC2-(1,3-benzothiazol-2-ylmethoxy)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
SMILESO=C(COCc1nc2ccccc2s1)NCc1ccccc1OC(F)(F)F
InChIInChI=1S/C18H15F3N2O3S/c19-18(20,21)26-14-7-3-1-5-12(14)9-22-16(24)10-25-11-17-23-13-6-2-4-8-15(13)27-17/h1-8H,9-11H2,(H,22,24)
InChIKeyWNSXHRFPEGXUOG-UHFFFAOYSA-N
MW396.39 g/mol
LogP4.03
Rot. Bonds7

About 2-(1,3-benzothiazol-2-ylmethoxy)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide

2-(1,3-benzothiazol-2-ylmethoxy)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide (PubChem CID 18283867) has the molecular formula C18H15F3N2O3S and a molecular weight of 396.39 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-ylmethoxy)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-ylmethoxy)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
PubChem CID18283867
Molecular FormulaC18H15F3N2O3S
Molecular Weight396.39 g/mol
Exact Mass396.08
IUPAC Name2-(1,3-benzothiazol-2-ylmethoxy)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
SMILESO=C(COCc1nc2ccccc2s1)NCc1ccccc1OC(F)(F)F
InChIInChI=1S/C18H15F3N2O3S/c19-18(20,21)26-14-7-3-1-5-12(14)9-22-16(24)10-25-11-17-23-13-6-2-4-8-15(13)27-17/h1-8H,9-11H2,(H,22,24)
InChIKeyWNSXHRFPEGXUOG-UHFFFAOYSA-N
XLogP4.03
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.39
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,3-benzothiazol-2-ylmethyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
CID 46493869
2-(1,3-benzothiazol-2-ylmethoxy)-N-(cyclopropylmethyl)acetamide
CID 24667090
N-(1,3-benzothiazol-2-ylmethyl)-2-ethoxyacetamide
CID 60657144
2-(1,3-benzothiazol-2-ylmethoxy)-N-(2-phenylpropyl)acetamide
CID 43012669
2-(1,3-benzothiazol-2-ylmethoxy)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 24550639
2-(1,3-benzothiazol-2-ylmethoxy)-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]acetamide
CID 24610569
2-[[2-(1,3-benzothiazol-2-ylmethoxy)acetyl]amino]-N-cyclopropylacetamide
CID 18163807
2-(1,3-benzothiazol-2-ylmethoxy)-N-(2-thiophen-3-ylethyl)acetamide
CID 46399966
N-(1,3-benzothiazol-2-ylmethyl)-2-(2-methoxyethoxy)acetamide
CID 103601969
2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide
CID 30462211
4-chloro-N-[[2-(trifluoromethoxy)phenyl]methyl]butanamide
CID 63309225
2-(1,3-benzothiazol-2-ylmethoxy)-N-[2-(4-chlorophenoxy)ethyl]acetamide
CID 24548350

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-ylmethoxy)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide?
The IUPAC name of 2-(1,3-benzothiazol-2-ylmethoxy)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide (CID 18283867) is 2-(1,3-benzothiazol-2-ylmethoxy)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(1,3-benzothiazol-2-ylmethoxy)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide?
The canonical SMILES for 2-(1,3-benzothiazol-2-ylmethoxy)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide is O=C(COCc1nc2ccccc2s1)NCc1ccccc1OC(F)(F)F.
What is the InChIKey of 2-(1,3-benzothiazol-2-ylmethoxy)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide?
The InChIKey is WNSXHRFPEGXUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O3S/c19-18(20,21)26-14-7-3-1-5-12(14)9-22-16(24)10-25-11-17-23-13-6-2-4-8-15(13)27-17/h1-8H,9-11H2,(H,22,24).
What are the key properties of 2-(1,3-benzothiazol-2-ylmethoxy)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide?
2-(1,3-benzothiazol-2-ylmethoxy)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide has a molecular weight of 396.39 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-ylmethoxy)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide is sourced from PubChem (CID 18283867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).