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

C16H14N2O2S — CID 7506157

IUPACN-[2-(1,3-benzothiazol-2-ylmethoxy)phenyl]acetamide
SMILESCC(=O)Nc1ccccc1OCc1nc2ccccc2s1
InChIInChI=1S/C16H14N2O2S/c1-11(19)17-12-6-2-4-8-14(12)20-10-16-18-13-7-3-5-9-15(13)21-16/h2-9H,10H2,1H3,(H,17,19)
InChIKeyCZBHHOBXFCXZQZ-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.83
Rot. Bonds4

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

N-[2-(1,3-benzothiazol-2-ylmethoxy)phenyl]acetamide (PubChem CID 7506157) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is N-[2-(1,3-benzothiazol-2-ylmethoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-(1,3-benzothiazol-2-ylmethoxy)phenyl]acetamide
PubChem CID7506157
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC NameN-[2-(1,3-benzothiazol-2-ylmethoxy)phenyl]acetamide
SMILESCC(=O)Nc1ccccc1OCc1nc2ccccc2s1
InChIInChI=1S/C16H14N2O2S/c1-11(19)17-12-6-2-4-8-14(12)20-10-16-18-13-7-3-5-9-15(13)21-16/h2-9H,10H2,1H3,(H,17,19)
InChIKeyCZBHHOBXFCXZQZ-UHFFFAOYSA-N
XLogP3.83
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(1,3-benzothiazol-2-ylmethoxy)phenyl]acetamide
CID 7698043
N-[4-(1,3-benzothiazol-2-ylmethoxy)-2-ethylphenyl]acetamide
CID 18932135
propan-2-yl 2-acetamido-5-(1,3-benzothiazol-2-ylmethoxy)benzoate
CID 18932317
propan-2-yl 5-acetamido-2-(1,3-benzothiazol-2-ylmethoxy)benzoate
CID 18932112
2-(2-acetamidophenoxy)-N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methylacetamide
CID 9416452
N-[2-[(3-methylquinoxalin-2-yl)methoxy]phenyl]acetamide
CID 51072406
1-[2-(1,3-benzothiazol-2-ylmethoxy)-4-bromophenyl]ethanone
CID 103750338
2-[1-(1,3-benzothiazol-2-ylmethyl)cyclopentyl]-N-(2-methoxyphenyl)acetamide
CID 39952051
methyl N-[4-(1,3-benzothiazol-2-ylmethoxy)-2,3,6-trimethylphenyl]carbamate
CID 18932051
2-[2-(1,3-benzothiazol-2-ylmethoxy)phenyl]ethanol
CID 107713086
2-(1,3-benzothiazol-2-ylmethoxy)-5-methylbenzoic acid
CID 60652782
N'-acetyl-2-(1,3-benzothiazol-2-yl)acetohydrazide
CID 10634351

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzothiazol-2-ylmethoxy)phenyl]acetamide?
The IUPAC name of N-[2-(1,3-benzothiazol-2-ylmethoxy)phenyl]acetamide (CID 7506157) is N-[2-(1,3-benzothiazol-2-ylmethoxy)phenyl]acetamide.
What is the SMILES notation for N-[2-(1,3-benzothiazol-2-ylmethoxy)phenyl]acetamide?
The canonical SMILES for N-[2-(1,3-benzothiazol-2-ylmethoxy)phenyl]acetamide is CC(=O)Nc1ccccc1OCc1nc2ccccc2s1.
What is the InChIKey of N-[2-(1,3-benzothiazol-2-ylmethoxy)phenyl]acetamide?
The InChIKey is CZBHHOBXFCXZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-11(19)17-12-6-2-4-8-14(12)20-10-16-18-13-7-3-5-9-15(13)21-16/h2-9H,10H2,1H3,(H,17,19).
What are the key properties of N-[2-(1,3-benzothiazol-2-ylmethoxy)phenyl]acetamide?
N-[2-(1,3-benzothiazol-2-ylmethoxy)phenyl]acetamide has a molecular weight of 298.37 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzothiazol-2-ylmethoxy)phenyl]acetamide is sourced from PubChem (CID 7506157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).