N-[2-ethyl-4-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methoxy]phenyl]acetamide

C19H17F3N2O2S — CID 18932360

IUPACN-[2-ethyl-4-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methoxy]phenyl]acetamide
SMILESCCc1cc(OCc2nc3cc(C(F)(F)F)ccc3s2)ccc1NC(C)=O
InChIInChI=1S/C19H17F3N2O2S/c1-3-12-8-14(5-6-15(12)23-11(2)25)26-10-18-24-16-9-13(19(20,21)22)4-7-17(16)27-18/h4-9H,3,10H2,1-2H3,(H,23,25)
InChIKeyNXIRYVPJESQZKK-UHFFFAOYSA-N
MW394.42 g/mol
LogP5.41
Rot. Bonds5

About N-[2-ethyl-4-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methoxy]phenyl]acetamide

N-[2-ethyl-4-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methoxy]phenyl]acetamide (PubChem CID 18932360) has the molecular formula C19H17F3N2O2S and a molecular weight of 394.42 g/mol. Its IUPAC name is N-[2-ethyl-4-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-ethyl-4-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methoxy]phenyl]acetamide
PubChem CID18932360
Molecular FormulaC19H17F3N2O2S
Molecular Weight394.42 g/mol
Exact Mass394.10
IUPAC NameN-[2-ethyl-4-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methoxy]phenyl]acetamide
SMILESCCc1cc(OCc2nc3cc(C(F)(F)F)ccc3s2)ccc1NC(C)=O
InChIInChI=1S/C19H17F3N2O2S/c1-3-12-8-14(5-6-15(12)23-11(2)25)26-10-18-24-16-9-13(19(20,21)22)4-7-17(16)27-18/h4-9H,3,10H2,1-2H3,(H,23,25)
InChIKeyNXIRYVPJESQZKK-UHFFFAOYSA-N
XLogP5.41
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.42
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-ethyl-4-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methoxy]phenyl]acetamide?
The IUPAC name of N-[2-ethyl-4-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methoxy]phenyl]acetamide (CID 18932360) is N-[2-ethyl-4-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methoxy]phenyl]acetamide.
What is the SMILES notation for N-[2-ethyl-4-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methoxy]phenyl]acetamide?
The canonical SMILES for N-[2-ethyl-4-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methoxy]phenyl]acetamide is CCc1cc(OCc2nc3cc(C(F)(F)F)ccc3s2)ccc1NC(C)=O.
What is the InChIKey of N-[2-ethyl-4-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methoxy]phenyl]acetamide?
The InChIKey is NXIRYVPJESQZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O2S/c1-3-12-8-14(5-6-15(12)23-11(2)25)26-10-18-24-16-9-13(19(20,21)22)4-7-17(16)27-18/h4-9H,3,10H2,1-2H3,(H,23,25).
What are the key properties of N-[2-ethyl-4-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methoxy]phenyl]acetamide?
N-[2-ethyl-4-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methoxy]phenyl]acetamide has a molecular weight of 394.42 g/mol, XLogP of 5.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethyl-4-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methoxy]phenyl]acetamide is sourced from PubChem (CID 18932360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).