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

C19H17F3N2O2S — CID 18932074

IUPACN-[2,3-dimethyl-4-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCc2nc3cc(C(F)(F)F)ccc3s2)c(C)c1C
InChIInChI=1S/C19H17F3N2O2S/c1-10-11(2)16(6-5-14(10)23-12(3)25)26-9-18-24-15-8-13(19(20,21)22)4-7-17(15)27-18/h4-8H,9H2,1-3H3,(H,23,25)
InChIKeyCGICTAFJWVLBKY-UHFFFAOYSA-N
MW394.42 g/mol
LogP5.47
Rot. Bonds4

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

N-[2,3-dimethyl-4-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methoxy]phenyl]acetamide (PubChem CID 18932074) has the molecular formula C19H17F3N2O2S and a molecular weight of 394.42 g/mol. Its IUPAC name is N-[2,3-dimethyl-4-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[2,3-dimethyl-4-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methoxy]phenyl]acetamide
PubChem CID18932074
Molecular FormulaC19H17F3N2O2S
Molecular Weight394.42 g/mol
Exact Mass394.10
IUPAC NameN-[2,3-dimethyl-4-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCc2nc3cc(C(F)(F)F)ccc3s2)c(C)c1C
InChIInChI=1S/C19H17F3N2O2S/c1-10-11(2)16(6-5-14(10)23-12(3)25)26-9-18-24-15-8-13(19(20,21)22)4-7-17(15)27-18/h4-8H,9H2,1-3H3,(H,23,25)
InChIKeyCGICTAFJWVLBKY-UHFFFAOYSA-N
XLogP5.47
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.42
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(Benzo(D)Thiazol-2-Ylmethoxy)-2-Methylaniline
CID 935400
N-[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]propanamide
CID 851643
N-(2-methyl-1,3-benzothiazol-6-yl)-2-(3-methylphenoxy)acetamide
CID 2090688
N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-(4-methoxyphenoxy)acetamide
CID 1348850
N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]-2-(4-methoxyphenoxy)acetamide
CID 5072308
N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(2-fluorophenoxy)acetamide
CID 16015830
N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(3-methylphenoxy)acetamide
CID 1364257
N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-phenoxyacetamide
CID 1366812
N-[4-(6-methylbenzothiazol-2-yl)phenyl]-2-(2,3,6-trimethylphenoxy)acetamide
CID 1567021
2-(2-tert-butylphenoxy)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
CID 1591669
N-(3-(6-ethoxybenzo[d]thiazol-2-yl)-4-hydroxyphenyl)acetamide
CID 2147563
N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-2-(3-methylphenoxy)acetamide
CID 2223465

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dimethyl-4-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methoxy]phenyl]acetamide?
The IUPAC name of N-[2,3-dimethyl-4-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methoxy]phenyl]acetamide (CID 18932074) is N-[2,3-dimethyl-4-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methoxy]phenyl]acetamide.
What is the SMILES notation for N-[2,3-dimethyl-4-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methoxy]phenyl]acetamide?
The canonical SMILES for N-[2,3-dimethyl-4-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methoxy]phenyl]acetamide is CC(=O)Nc1ccc(OCc2nc3cc(C(F)(F)F)ccc3s2)c(C)c1C.
What is the InChIKey of N-[2,3-dimethyl-4-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methoxy]phenyl]acetamide?
The InChIKey is CGICTAFJWVLBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O2S/c1-10-11(2)16(6-5-14(10)23-12(3)25)26-9-18-24-15-8-13(19(20,21)22)4-7-17(15)27-18/h4-8H,9H2,1-3H3,(H,23,25).
What are the key properties of N-[2,3-dimethyl-4-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methoxy]phenyl]acetamide?
N-[2,3-dimethyl-4-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methoxy]phenyl]acetamide has a molecular weight of 394.42 g/mol, XLogP of 5.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dimethyl-4-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methoxy]phenyl]acetamide is sourced from PubChem (CID 18932074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).