1,3-benzothiazol-2-ylmethyl 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate

C15H11N3O2S2 — CID 3000003

IUPAC1,3-benzothiazol-2-ylmethyl 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
SMILESO=C(Cc1cn2ccsc2n1)OCc1nc2ccccc2s1
InChIInChI=1S/C15H11N3O2S2/c19-14(7-10-8-18-5-6-21-15(18)16-10)20-9-13-17-11-3-1-2-4-12(11)22-13/h1-6,8H,7,9H2
InChIKeyODXZMIYAIOAUCQ-UHFFFAOYSA-N
MW329.41 g/mol
LogP3.29
Rot. Bonds4

About 1,3-benzothiazol-2-ylmethyl 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate

1,3-benzothiazol-2-ylmethyl 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate (PubChem CID 3000003) has the molecular formula C15H11N3O2S2 and a molecular weight of 329.41 g/mol. Its IUPAC name is 1,3-benzothiazol-2-ylmethyl 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate.

Molecular Properties

Compound Name1,3-benzothiazol-2-ylmethyl 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
PubChem CID3000003
Molecular FormulaC15H11N3O2S2
Molecular Weight329.41 g/mol
Exact Mass329.03
IUPAC Name1,3-benzothiazol-2-ylmethyl 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
SMILESO=C(Cc1cn2ccsc2n1)OCc1nc2ccccc2s1
InChIInChI=1S/C15H11N3O2S2/c19-14(7-10-8-18-5-6-21-15(18)16-10)20-9-13-17-11-3-1-2-4-12(11)22-13/h1-6,8H,7,9H2
InChIKeyODXZMIYAIOAUCQ-UHFFFAOYSA-N
XLogP3.29
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

Ethyl imidazo[2,1-b][1,3]benzothiazole-2-carboxylate
CID 1480574
Propyl imidazo[2,1-b][1,3]benzothiazole-2-carboxylate
CID 14067630
Imidazo[2,1-b]benzothiazole-2-acetic acid, ethyl ester
CID 12312084
Imidazo[2,1-b]benzothiazole-3-carboxylic acid ethyl ester
CID 10890197
2-(6-Imidazo[2,1-b]thiazolyl)acetic acid [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] ester
CID 2998514
2-[6-(Thiophen-2-yl)imidazo[2,1-b][1,3]thiazol-3-yl]acetic acid
CID 16227107
2-((Imidazo[2,1-b]thiazol-6-ylmethyl)thio)benzo[d]thiazole
CID 747987
Ethyl [7-(trifluoromethyl)imidazo[2,1-b][1,3]benzothiazol-2-yl]acetate
CID 638600
Ethyl 2-(5-chloro-6-fluoroimidazo[2,1-b][1,3]benzothiazol-2-yl)acetate
CID 118971219
Ethyl (7-methylimidazo[2,1-b][1,3]benzothiazol-2-yl)acetate
CID 638596
Ethyl (7-chloroimidazo[2,1-b][1,3]benzothiazol-2-yl)acetate
CID 638598
Ethyl (7-bromoimidazo[2,1-b][1,3]benzothiazol-2-yl)acetate
CID 638599

Frequently Asked Questions

What is the IUPAC name of 1,3-benzothiazol-2-ylmethyl 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate?
The IUPAC name of 1,3-benzothiazol-2-ylmethyl 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate (CID 3000003) is 1,3-benzothiazol-2-ylmethyl 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate.
What is the SMILES notation for 1,3-benzothiazol-2-ylmethyl 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate?
The canonical SMILES for 1,3-benzothiazol-2-ylmethyl 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate is O=C(Cc1cn2ccsc2n1)OCc1nc2ccccc2s1.
What is the InChIKey of 1,3-benzothiazol-2-ylmethyl 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate?
The InChIKey is ODXZMIYAIOAUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O2S2/c19-14(7-10-8-18-5-6-21-15(18)16-10)20-9-13-17-11-3-1-2-4-12(11)22-13/h1-6,8H,7,9H2.
What are the key properties of 1,3-benzothiazol-2-ylmethyl 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate?
1,3-benzothiazol-2-ylmethyl 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate has a molecular weight of 329.41 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzothiazol-2-ylmethyl 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate is sourced from PubChem (CID 3000003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).