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

C12H14N2O2S — CID 4099086

IUPACN-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide
SMILESCOCCn1/c(=N/C(C)=O)sc2ccccc21
InChIInChI=1S/C12H14N2O2S/c1-9(15)13-12-14(7-8-16-2)10-5-3-4-6-11(10)17-12/h3-6H,7-8H2,1-2H3/b13-12-
InChIKeySVWCEGIPFNGJLX-SEYXRHQNSA-N
MW250.32 g/mol
LogP1.80
Rot. Bonds3

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

N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide (PubChem CID 4099086) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide.

Molecular Properties

Compound NameN-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide
PubChem CID4099086
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC NameN-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide
SMILESCOCCn1/c(=N/C(C)=O)sc2ccccc21
InChIInChI=1S/C12H14N2O2S/c1-9(15)13-12-14(7-8-16-2)10-5-3-4-6-11(10)17-12/h3-6H,7-8H2,1-2H3/b13-12-
InChIKeySVWCEGIPFNGJLX-SEYXRHQNSA-N
XLogP1.80
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide?
The IUPAC name of N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide (CID 4099086) is N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide.
What is the SMILES notation for N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide?
The canonical SMILES for N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide is COCCn1/c(=N/C(C)=O)sc2ccccc21.
What is the InChIKey of N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide?
The InChIKey is SVWCEGIPFNGJLX-SEYXRHQNSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-9(15)13-12-14(7-8-16-2)10-5-3-4-6-11(10)17-12/h3-6H,7-8H2,1-2H3/b13-12-.
What are the key properties of N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide?
N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide has a molecular weight of 250.32 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide is sourced from PubChem (CID 4099086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).