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

C18H15F3N2O2S — CID 18932173

IUPACN-[2-methyl-4-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCc2nc3cc(C(F)(F)F)ccc3s2)cc1C
InChIInChI=1S/C18H15F3N2O2S/c1-10-7-13(4-5-14(10)22-11(2)24)25-9-17-23-15-8-12(18(19,20)21)3-6-16(15)26-17/h3-8H,9H2,1-2H3,(H,22,24)
InChIKeyOLVYBGLARSOUOI-UHFFFAOYSA-N
MW380.39 g/mol
LogP5.16
Rot. Bonds4

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

N-[2-methyl-4-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methoxy]phenyl]acetamide (PubChem CID 18932173) has the molecular formula C18H15F3N2O2S and a molecular weight of 380.39 g/mol. Its IUPAC name is N-[2-methyl-4-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-methyl-4-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methoxy]phenyl]acetamide
PubChem CID18932173
Molecular FormulaC18H15F3N2O2S
Molecular Weight380.39 g/mol
Exact Mass380.08
IUPAC NameN-[2-methyl-4-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCc2nc3cc(C(F)(F)F)ccc3s2)cc1C
InChIInChI=1S/C18H15F3N2O2S/c1-10-7-13(4-5-14(10)22-11(2)24)25-9-17-23-15-8-12(18(19,20)21)3-6-16(15)26-17/h3-8H,9H2,1-2H3,(H,22,24)
InChIKeyOLVYBGLARSOUOI-UHFFFAOYSA-N
XLogP5.16
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.39
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)methoxy]-2-methylphenyl]acetamide
CID 18932064
N-[4-[(5-chloro-1,3-benzothiazol-2-yl)methoxy]-2-ethylphenyl]acetamide
CID 18932476
N-[4-(1,3-benzothiazol-2-ylmethoxy)-2-ethylphenyl]acetamide
CID 18932135
1-[1-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methoxy]naphthalen-2-yl]ethanone
CID 143253207
propan-2-yl 2-acetamido-5-(1,3-benzothiazol-2-ylmethoxy)benzoate
CID 18932317
1-[4-(1,3-benzothiazol-2-ylmethoxy)-2-methylphenyl]-3-(3-chlorophenyl)urea
CID 980457
[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl formate
CID 174767325
N-[3-(1,3-benzothiazol-2-ylmethoxy)phenyl]acetamide
CID 7698043
N-(3,5-difluoro-4-methoxyphenyl)-3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]propanamide
CID 86897505
N-methyl-3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]propan-1-amine
CID 43152023
N-(5-ethyl-1H-pyrazol-3-yl)-3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]propanamide
CID 86899011
2-methyl-N-[2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]ethyl]propan-2-amine
CID 60835878

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methoxy]phenyl]acetamide?
The IUPAC name of N-[2-methyl-4-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methoxy]phenyl]acetamide (CID 18932173) is N-[2-methyl-4-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methoxy]phenyl]acetamide.
What is the SMILES notation for N-[2-methyl-4-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methoxy]phenyl]acetamide?
The canonical SMILES for N-[2-methyl-4-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methoxy]phenyl]acetamide is CC(=O)Nc1ccc(OCc2nc3cc(C(F)(F)F)ccc3s2)cc1C.
What is the InChIKey of N-[2-methyl-4-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methoxy]phenyl]acetamide?
The InChIKey is OLVYBGLARSOUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O2S/c1-10-7-13(4-5-14(10)22-11(2)24)25-9-17-23-15-8-12(18(19,20)21)3-6-16(15)26-17/h3-8H,9H2,1-2H3,(H,22,24).
What are the key properties of N-[2-methyl-4-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methoxy]phenyl]acetamide?
N-[2-methyl-4-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methoxy]phenyl]acetamide has a molecular weight of 380.39 g/mol, XLogP of 5.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-4-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methoxy]phenyl]acetamide is sourced from PubChem (CID 18932173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).