N-naphthalen-1-yl-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide

C19H14N2O2S — CID 1071264

IUPACN-naphthalen-1-yl-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
SMILESO=C(Cn1c(=O)sc2ccccc21)Nc1cccc2ccccc12
InChIInChI=1S/C19H14N2O2S/c22-18(12-21-16-10-3-4-11-17(16)24-19(21)23)20-15-9-5-7-13-6-1-2-8-14(13)15/h1-11H,12H2,(H,20,22)
InChIKeyDTIGADWAZIOOHR-UHFFFAOYSA-N
MW334.40 g/mol
LogP3.85
Rot. Bonds3

About N-naphthalen-1-yl-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide

N-naphthalen-1-yl-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide (PubChem CID 1071264) has the molecular formula C19H14N2O2S and a molecular weight of 334.40 g/mol. Its IUPAC name is N-naphthalen-1-yl-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-naphthalen-1-yl-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
PubChem CID1071264
Molecular FormulaC19H14N2O2S
Molecular Weight334.40 g/mol
Exact Mass334.08
IUPAC NameN-naphthalen-1-yl-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
SMILESO=C(Cn1c(=O)sc2ccccc21)Nc1cccc2ccccc12
InChIInChI=1S/C19H14N2O2S/c22-18(12-21-16-10-3-4-11-17(16)24-19(21)23)20-15-9-5-7-13-6-1-2-8-14(13)15/h1-11H,12H2,(H,20,22)
InChIKeyDTIGADWAZIOOHR-UHFFFAOYSA-N
XLogP3.85
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide?
The IUPAC name of N-naphthalen-1-yl-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide (CID 1071264) is N-naphthalen-1-yl-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide.
What is the SMILES notation for N-naphthalen-1-yl-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide?
The canonical SMILES for N-naphthalen-1-yl-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide is O=C(Cn1c(=O)sc2ccccc21)Nc1cccc2ccccc12.
What is the InChIKey of N-naphthalen-1-yl-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide?
The InChIKey is DTIGADWAZIOOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O2S/c22-18(12-21-16-10-3-4-11-17(16)24-19(21)23)20-15-9-5-7-13-6-1-2-8-14(13)15/h1-11H,12H2,(H,20,22).
What are the key properties of N-naphthalen-1-yl-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide?
N-naphthalen-1-yl-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide has a molecular weight of 334.40 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide is sourced from PubChem (CID 1071264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).