ethyl 2-(2-acetylimino-6-methoxy-1,3-benzothiazol-3-yl)acetate

C14H16N2O4S — CID 4152859

IUPACethyl 2-(2-acetylimino-6-methoxy-1,3-benzothiazol-3-yl)acetate
SMILESCCOC(=O)Cn1/c(=N/C(C)=O)sc2cc(OC)ccc21
InChIInChI=1S/C14H16N2O4S/c1-4-20-13(18)8-16-11-6-5-10(19-3)7-12(11)21-14(16)15-9(2)17/h5-7H,4,8H2,1-3H3/b15-14-
InChIKeySSOKRRFANXBTNM-PFONDFGASA-N
MW308.36 g/mol
LogP1.72
Rot. Bonds4

About ethyl 2-(2-acetylimino-6-methoxy-1,3-benzothiazol-3-yl)acetate

ethyl 2-(2-acetylimino-6-methoxy-1,3-benzothiazol-3-yl)acetate (PubChem CID 4152859) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is ethyl 2-(2-acetylimino-6-methoxy-1,3-benzothiazol-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-acetylimino-6-methoxy-1,3-benzothiazol-3-yl)acetate
PubChem CID4152859
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC Nameethyl 2-(2-acetylimino-6-methoxy-1,3-benzothiazol-3-yl)acetate
SMILESCCOC(=O)Cn1/c(=N/C(C)=O)sc2cc(OC)ccc21
InChIInChI=1S/C14H16N2O4S/c1-4-20-13(18)8-16-11-6-5-10(19-3)7-12(11)21-14(16)15-9(2)17/h5-7H,4,8H2,1-3H3/b15-14-
InChIKeySSOKRRFANXBTNM-PFONDFGASA-N
XLogP1.72
TPSA69.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[6-methoxy-2-(4-methoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate
CID 4108676
ethyl 2-[6-methoxy-2-[2-(4-methoxyphenoxy)acetyl]imino-1,3-benzothiazol-3-yl]acetate
CID 43940564
ethyl 2-[(2Z)-6-methoxy-2-(4-methoxyphenyl)sulfonylimino-1,3-benzothiazol-3-yl]acetate
CID 16937481
ethyl 2-[2-(benzenesulfonylimino)-6-methoxy-1,3-benzothiazol-3-yl]acetate
CID 40849387
N-(6-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)acetamide
CID 7540616
ethyl 2-[2-[2-(4-chlorophenyl)acetyl]imino-6-methoxy-1,3-benzothiazol-3-yl]acetate
CID 16912332
ethyl 2-[2-(4-butoxybenzoyl)imino-6-methoxy-1,3-benzothiazol-3-yl]acetate
CID 4146724
ethyl 2-[6-methoxy-2-[3-(trifluoromethyl)benzoyl]imino-1,3-benzothiazol-3-yl]acetate
CID 4198304
ethyl 2-[2-(3-ethylsulfonylbenzoyl)imino-6-methoxy-1,3-benzothiazol-3-yl]acetate
CID 42524516
ethyl 2-[6-methoxy-2-(3-thiophen-2-ylprop-2-enoylimino)-1,3-benzothiazol-3-yl]acetate
CID 5065600
ethyl 2-[2-(3-cyclohexylpropanoylimino)-6-methoxy-1,3-benzothiazol-3-yl]acetate
CID 43940579
ethyl 2-(6-methoxy-2-thiophen-2-ylsulfonylimino-1,3-benzothiazol-3-yl)acetate
CID 40892418

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-acetylimino-6-methoxy-1,3-benzothiazol-3-yl)acetate?
The IUPAC name of ethyl 2-(2-acetylimino-6-methoxy-1,3-benzothiazol-3-yl)acetate (CID 4152859) is ethyl 2-(2-acetylimino-6-methoxy-1,3-benzothiazol-3-yl)acetate.
What is the SMILES notation for ethyl 2-(2-acetylimino-6-methoxy-1,3-benzothiazol-3-yl)acetate?
The canonical SMILES for ethyl 2-(2-acetylimino-6-methoxy-1,3-benzothiazol-3-yl)acetate is CCOC(=O)Cn1/c(=N/C(C)=O)sc2cc(OC)ccc21.
What is the InChIKey of ethyl 2-(2-acetylimino-6-methoxy-1,3-benzothiazol-3-yl)acetate?
The InChIKey is SSOKRRFANXBTNM-PFONDFGASA-N. The full InChI is InChI=1S/C14H16N2O4S/c1-4-20-13(18)8-16-11-6-5-10(19-3)7-12(11)21-14(16)15-9(2)17/h5-7H,4,8H2,1-3H3/b15-14-.
What are the key properties of ethyl 2-(2-acetylimino-6-methoxy-1,3-benzothiazol-3-yl)acetate?
ethyl 2-(2-acetylimino-6-methoxy-1,3-benzothiazol-3-yl)acetate has a molecular weight of 308.36 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-acetylimino-6-methoxy-1,3-benzothiazol-3-yl)acetate is sourced from PubChem (CID 4152859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).