N-[4-(1,3-benzothiazol-2-ylmethoxy)-2-ethylphenyl]acetamide

C18H18N2O2S — CID 18932135

IUPACN-[4-(1,3-benzothiazol-2-ylmethoxy)-2-ethylphenyl]acetamide
SMILESCCc1cc(OCc2nc3ccccc3s2)ccc1NC(C)=O
InChIInChI=1S/C18H18N2O2S/c1-3-13-10-14(8-9-15(13)19-12(2)21)22-11-18-20-16-6-4-5-7-17(16)23-18/h4-10H,3,11H2,1-2H3,(H,19,21)
InChIKeyGZBADOOLIGJATG-UHFFFAOYSA-N
MW326.42 g/mol
LogP4.40
Rot. Bonds5

About N-[4-(1,3-benzothiazol-2-ylmethoxy)-2-ethylphenyl]acetamide

N-[4-(1,3-benzothiazol-2-ylmethoxy)-2-ethylphenyl]acetamide (PubChem CID 18932135) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-[4-(1,3-benzothiazol-2-ylmethoxy)-2-ethylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-(1,3-benzothiazol-2-ylmethoxy)-2-ethylphenyl]acetamide
PubChem CID18932135
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC NameN-[4-(1,3-benzothiazol-2-ylmethoxy)-2-ethylphenyl]acetamide
SMILESCCc1cc(OCc2nc3ccccc3s2)ccc1NC(C)=O
InChIInChI=1S/C18H18N2O2S/c1-3-13-10-14(8-9-15(13)19-12(2)21)22-11-18-20-16-6-4-5-7-17(16)23-18/h4-10H,3,11H2,1-2H3,(H,19,21)
InChIKeyGZBADOOLIGJATG-UHFFFAOYSA-N
XLogP4.40
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(5-chloro-1,3-benzothiazol-2-yl)methoxy]-2-ethylphenyl]acetamide
CID 18932476
propan-2-yl 2-acetamido-5-(1,3-benzothiazol-2-ylmethoxy)benzoate
CID 18932317
N-[3-(1,3-benzothiazol-2-ylmethoxy)phenyl]acetamide
CID 7698043
N-[2-(1,3-benzothiazol-2-ylmethoxy)phenyl]acetamide
CID 7506157
dimethyl 5-(1,3-benzothiazol-2-ylmethoxy)benzene-1,3-dicarboxylate
CID 7643399
[4-(1,3-benzothiazol-2-ylmethoxy)phenyl] N-methylcarbamate
CID 22442661
1-[4-(1,3-benzothiazol-2-ylmethoxy)-2-methylphenyl]-3-(3-chlorophenyl)urea
CID 980457
1-[2-acetyl-6-(1,3-benzothiazol-2-ylmethoxy)quinolin-4-yl]ethanone
CID 155355496
N'-acetyl-2-(1,3-benzothiazol-2-yl)acetohydrazide
CID 10634351
N-[[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]methyl]ethanamine
CID 104630931
N-[2-methyl-4-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methoxy]phenyl]acetamide
CID 18932173
[4-(1,3-benzothiazol-2-ylmethoxy)-N-methoxycarbonyl-2-methylanilino]methyl acetate
CID 18932446

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzothiazol-2-ylmethoxy)-2-ethylphenyl]acetamide?
The IUPAC name of N-[4-(1,3-benzothiazol-2-ylmethoxy)-2-ethylphenyl]acetamide (CID 18932135) is N-[4-(1,3-benzothiazol-2-ylmethoxy)-2-ethylphenyl]acetamide.
What is the SMILES notation for N-[4-(1,3-benzothiazol-2-ylmethoxy)-2-ethylphenyl]acetamide?
The canonical SMILES for N-[4-(1,3-benzothiazol-2-ylmethoxy)-2-ethylphenyl]acetamide is CCc1cc(OCc2nc3ccccc3s2)ccc1NC(C)=O.
What is the InChIKey of N-[4-(1,3-benzothiazol-2-ylmethoxy)-2-ethylphenyl]acetamide?
The InChIKey is GZBADOOLIGJATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S/c1-3-13-10-14(8-9-15(13)19-12(2)21)22-11-18-20-16-6-4-5-7-17(16)23-18/h4-10H,3,11H2,1-2H3,(H,19,21).
What are the key properties of N-[4-(1,3-benzothiazol-2-ylmethoxy)-2-ethylphenyl]acetamide?
N-[4-(1,3-benzothiazol-2-ylmethoxy)-2-ethylphenyl]acetamide has a molecular weight of 326.42 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzothiazol-2-ylmethoxy)-2-ethylphenyl]acetamide is sourced from PubChem (CID 18932135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).