2-(2-oxo-1,3-benzothiazol-3-yl)-N-(2-prop-1-en-2-ylphenyl)acetamide

C18H16N2O2S — CID 706210

IUPAC2-(2-oxo-1,3-benzothiazol-3-yl)-N-(2-prop-1-en-2-ylphenyl)acetamide
SMILESC=C(C)c1ccccc1NC(=O)Cn1c(=O)sc2ccccc21
InChIInChI=1S/C18H16N2O2S/c1-12(2)13-7-3-4-8-14(13)19-17(21)11-20-15-9-5-6-10-16(15)23-18(20)22/h3-10H,1,11H2,2H3,(H,19,21)
InChIKeyCZLMUBHOSSFOOK-UHFFFAOYSA-N
MW324.41 g/mol
LogP3.73
Rot. Bonds4

About 2-(2-oxo-1,3-benzothiazol-3-yl)-N-(2-prop-1-en-2-ylphenyl)acetamide

2-(2-oxo-1,3-benzothiazol-3-yl)-N-(2-prop-1-en-2-ylphenyl)acetamide (PubChem CID 706210) has the molecular formula C18H16N2O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is 2-(2-oxo-1,3-benzothiazol-3-yl)-N-(2-prop-1-en-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-oxo-1,3-benzothiazol-3-yl)-N-(2-prop-1-en-2-ylphenyl)acetamide
PubChem CID706210
Molecular FormulaC18H16N2O2S
Molecular Weight324.41 g/mol
Exact Mass324.09
IUPAC Name2-(2-oxo-1,3-benzothiazol-3-yl)-N-(2-prop-1-en-2-ylphenyl)acetamide
SMILESC=C(C)c1ccccc1NC(=O)Cn1c(=O)sc2ccccc21
InChIInChI=1S/C18H16N2O2S/c1-12(2)13-7-3-4-8-14(13)19-17(21)11-20-15-9-5-6-10-16(15)23-18(20)22/h3-10H,1,11H2,2H3,(H,19,21)
InChIKeyCZLMUBHOSSFOOK-UHFFFAOYSA-N
XLogP3.73
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1,3-benzothiazol-3-yl)-N-(2-prop-1-en-2-ylphenyl)acetamide?
The IUPAC name of 2-(2-oxo-1,3-benzothiazol-3-yl)-N-(2-prop-1-en-2-ylphenyl)acetamide (CID 706210) is 2-(2-oxo-1,3-benzothiazol-3-yl)-N-(2-prop-1-en-2-ylphenyl)acetamide.
What is the SMILES notation for 2-(2-oxo-1,3-benzothiazol-3-yl)-N-(2-prop-1-en-2-ylphenyl)acetamide?
The canonical SMILES for 2-(2-oxo-1,3-benzothiazol-3-yl)-N-(2-prop-1-en-2-ylphenyl)acetamide is C=C(C)c1ccccc1NC(=O)Cn1c(=O)sc2ccccc21.
What is the InChIKey of 2-(2-oxo-1,3-benzothiazol-3-yl)-N-(2-prop-1-en-2-ylphenyl)acetamide?
The InChIKey is CZLMUBHOSSFOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2S/c1-12(2)13-7-3-4-8-14(13)19-17(21)11-20-15-9-5-6-10-16(15)23-18(20)22/h3-10H,1,11H2,2H3,(H,19,21).
What are the key properties of 2-(2-oxo-1,3-benzothiazol-3-yl)-N-(2-prop-1-en-2-ylphenyl)acetamide?
2-(2-oxo-1,3-benzothiazol-3-yl)-N-(2-prop-1-en-2-ylphenyl)acetamide has a molecular weight of 324.41 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1,3-benzothiazol-3-yl)-N-(2-prop-1-en-2-ylphenyl)acetamide is sourced from PubChem (CID 706210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).