N-[3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide

C13H16N2O2S — CID 4592151

IUPACN-[3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide
SMILESCCOCCn1/c(=N/C(C)=O)sc2ccccc21
InChIInChI=1S/C13H16N2O2S/c1-3-17-9-8-15-11-6-4-5-7-12(11)18-13(15)14-10(2)16/h4-7H,3,8-9H2,1-2H3/b14-13-
InChIKeySSOVKWGJSLVCHE-YPKPFQOOSA-N
MW264.35 g/mol
LogP2.19
Rot. Bonds4

About N-[3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide

N-[3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide (PubChem CID 4592151) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is N-[3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide.

Molecular Properties

Compound NameN-[3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide
PubChem CID4592151
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC NameN-[3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide
SMILESCCOCCn1/c(=N/C(C)=O)sc2ccccc21
InChIInChI=1S/C13H16N2O2S/c1-3-17-9-8-15-11-6-4-5-7-12(11)18-13(15)14-10(2)16/h4-7H,3,8-9H2,1-2H3/b14-13-
InChIKeySSOVKWGJSLVCHE-YPKPFQOOSA-N
XLogP2.19
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide?
The IUPAC name of N-[3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide (CID 4592151) is N-[3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide.
What is the SMILES notation for N-[3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide?
The canonical SMILES for N-[3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide is CCOCCn1/c(=N/C(C)=O)sc2ccccc21.
What is the InChIKey of N-[3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide?
The InChIKey is SSOVKWGJSLVCHE-YPKPFQOOSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-3-17-9-8-15-11-6-4-5-7-12(11)18-13(15)14-10(2)16/h4-7H,3,8-9H2,1-2H3/b14-13-.
What are the key properties of N-[3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide?
N-[3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide has a molecular weight of 264.35 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide is sourced from PubChem (CID 4592151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).