ethyl 2-(6-methylimidazo[2,1-b][1,3]benzothiazol-2-yl)acetate

C14H14N2O2S — CID 638596

IUPACethyl 2-(6-methylimidazo[2,1-b][1,3]benzothiazol-2-yl)acetate
SMILESCCOC(=O)Cc1cn2c(n1)sc1cc(C)ccc12
InChIInChI=1S/C14H14N2O2S/c1-3-18-13(17)7-10-8-16-11-5-4-9(2)6-12(11)19-14(16)15-10/h4-6,8H,3,7H2,1-2H3
InChIKeyWIBYTSQDDQEFIS-UHFFFAOYSA-N
MW274.35 g/mol
LogP2.96
Rot. Bonds3

About ethyl 2-(6-methylimidazo[2,1-b][1,3]benzothiazol-2-yl)acetate

ethyl 2-(6-methylimidazo[2,1-b][1,3]benzothiazol-2-yl)acetate (PubChem CID 638596) has the molecular formula C14H14N2O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is ethyl 2-(6-methylimidazo[2,1-b][1,3]benzothiazol-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(6-methylimidazo[2,1-b][1,3]benzothiazol-2-yl)acetate
PubChem CID638596
Molecular FormulaC14H14N2O2S
Molecular Weight274.35 g/mol
Exact Mass274.08
IUPAC Nameethyl 2-(6-methylimidazo[2,1-b][1,3]benzothiazol-2-yl)acetate
SMILESCCOC(=O)Cc1cn2c(n1)sc1cc(C)ccc12
InChIInChI=1S/C14H14N2O2S/c1-3-18-13(17)7-10-8-16-11-5-4-9(2)6-12(11)19-14(16)15-10/h4-6,8H,3,7H2,1-2H3
InChIKeyWIBYTSQDDQEFIS-UHFFFAOYSA-N
XLogP2.96
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-Phenylimidazo(2,1-b)(1,3)thiazol-3-yl)acetic acid
CID 672289
Imidazo[2,1-b]benzothiazole-2-acetic acid, ethyl ester
CID 12312084
Ethyl 6-ethylimidazo[2,1-b][1,3]benzothiazole-2-carboxylate
CID 14067620
7-Methyl-2-phenylimidazo[2,1-b][1,3]benzothiazole
CID 690025
Ethyl 1-[2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carbonyl]piperidine-4-carboxylate
CID 16018293
2-(6-Imidazo[2,1-b]thiazolyl)acetic acid 1,3-benzothiazol-2-ylmethyl ester
CID 3000003
Ethyl 1-{[2-(4-ethylphenyl)imidazo[2,1-B][1,3]benzothiazol-7-YL]carbonyl}-3-piperidinecarboxylate
CID 16018462
Ethyl 1-[(2-phenylimidazo[2,1-b][1,3]benzothiazol-7-yl)carbonyl]-4-piperidinecarboxylate
CID 16018516
Ethyl 8-methylimidazo[2,1-b][1,3]benzothiazole-2-carboxylate
CID 394241
Ethyl 6,7-dimethylimidazo[2,1-b][1,3]benzothiazole-2-carboxylate
CID 396589
Ethyl [7-(trifluoromethyl)imidazo[2,1-b][1,3]benzothiazol-2-yl]acetate
CID 638600
Ethyl 2-phenylimidazo[2,1-b][1,3]benzothiazole-7-carboxylate
CID 691318

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6-methylimidazo[2,1-b][1,3]benzothiazol-2-yl)acetate?
The IUPAC name of ethyl 2-(6-methylimidazo[2,1-b][1,3]benzothiazol-2-yl)acetate (CID 638596) is ethyl 2-(6-methylimidazo[2,1-b][1,3]benzothiazol-2-yl)acetate.
What is the SMILES notation for ethyl 2-(6-methylimidazo[2,1-b][1,3]benzothiazol-2-yl)acetate?
The canonical SMILES for ethyl 2-(6-methylimidazo[2,1-b][1,3]benzothiazol-2-yl)acetate is CCOC(=O)Cc1cn2c(n1)sc1cc(C)ccc12.
What is the InChIKey of ethyl 2-(6-methylimidazo[2,1-b][1,3]benzothiazol-2-yl)acetate?
The InChIKey is WIBYTSQDDQEFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c1-3-18-13(17)7-10-8-16-11-5-4-9(2)6-12(11)19-14(16)15-10/h4-6,8H,3,7H2,1-2H3.
What are the key properties of ethyl 2-(6-methylimidazo[2,1-b][1,3]benzothiazol-2-yl)acetate?
ethyl 2-(6-methylimidazo[2,1-b][1,3]benzothiazol-2-yl)acetate has a molecular weight of 274.35 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6-methylimidazo[2,1-b][1,3]benzothiazol-2-yl)acetate is sourced from PubChem (CID 638596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).