ethyl 2-[(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetate

C12H14N2O2S — CID 682464

IUPACethyl 2-[(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetate
SMILESCCOC(=O)C/N=c1\sc2ccccc2n1C
InChIInChI=1S/C12H14N2O2S/c1-3-16-11(15)8-13-12-14(2)9-6-4-5-7-10(9)17-12/h4-7H,3,8H2,1-2H3/b13-12-
InChIKeyWYEBSLMBMXIUQI-SEYXRHQNSA-N
MW250.32 g/mol
LogP1.70
Rot. Bonds3

About ethyl 2-[(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetate

ethyl 2-[(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetate (PubChem CID 682464) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is ethyl 2-[(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetate
PubChem CID682464
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC Nameethyl 2-[(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetate
SMILESCCOC(=O)C/N=c1\sc2ccccc2n1C
InChIInChI=1S/C12H14N2O2S/c1-3-16-11(15)8-13-12-14(2)9-6-4-5-7-10(9)17-12/h4-7H,3,8H2,1-2H3/b13-12-
InChIKeyWYEBSLMBMXIUQI-SEYXRHQNSA-N
XLogP1.70
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetate?
The IUPAC name of ethyl 2-[(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetate (CID 682464) is ethyl 2-[(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetate.
What is the SMILES notation for ethyl 2-[(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetate?
The canonical SMILES for ethyl 2-[(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetate is CCOC(=O)C/N=c1\sc2ccccc2n1C.
What is the InChIKey of ethyl 2-[(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetate?
The InChIKey is WYEBSLMBMXIUQI-SEYXRHQNSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-3-16-11(15)8-13-12-14(2)9-6-4-5-7-10(9)17-12/h4-7H,3,8H2,1-2H3/b13-12-.
What are the key properties of ethyl 2-[(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetate?
ethyl 2-[(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetate has a molecular weight of 250.32 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetate is sourced from PubChem (CID 682464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).