N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]acetamide

C16H14N2O2S — CID 934737

IUPACN-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]acetamide
SMILESCOc1ccc(-c2nc3ccccc3s2)cc1NC(C)=O
InChIInChI=1S/C16H14N2O2S/c1-10(19)17-13-9-11(7-8-14(13)20-2)16-18-12-5-3-4-6-15(12)21-16/h3-9H,1-2H3,(H,17,19)
InChIKeyMNEJYKVFEAILTN-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.93
Rot. Bonds3

About N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]acetamide

N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]acetamide (PubChem CID 934737) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]acetamide
PubChem CID934737
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC NameN-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]acetamide
SMILESCOc1ccc(-c2nc3ccccc3s2)cc1NC(C)=O
InChIInChI=1S/C16H14N2O2S/c1-10(19)17-13-9-11(7-8-14(13)20-2)16-18-12-5-3-4-6-15(12)21-16/h3-9H,1-2H3,(H,17,19)
InChIKeyMNEJYKVFEAILTN-UHFFFAOYSA-N
XLogP3.93
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]acetamide?
The IUPAC name of N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]acetamide (CID 934737) is N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]acetamide.
What is the SMILES notation for N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]acetamide?
The canonical SMILES for N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]acetamide is COc1ccc(-c2nc3ccccc3s2)cc1NC(C)=O.
What is the InChIKey of N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]acetamide?
The InChIKey is MNEJYKVFEAILTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-10(19)17-13-9-11(7-8-14(13)20-2)16-18-12-5-3-4-6-15(12)21-16/h3-9H,1-2H3,(H,17,19).
What are the key properties of N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]acetamide?
N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]acetamide has a molecular weight of 298.37 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]acetamide is sourced from PubChem (CID 934737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).