ethyl 3-methyl-6-(1,3-thiazol-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylate

C12H11N3O2S2 — CID 81494571

IUPACethyl 3-methyl-6-(1,3-thiazol-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylate
SMILESCCOC(=O)c1sc2nc(-c3nccs3)cn2c1C
InChIInChI=1S/C12H11N3O2S2/c1-3-17-11(16)9-7(2)15-6-8(14-12(15)19-9)10-13-4-5-18-10/h4-6H,3H2,1-2H3
InChIKeyWELNULQQEVEOSJ-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.00
Rot. Bonds3

About ethyl 3-methyl-6-(1,3-thiazol-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylate

ethyl 3-methyl-6-(1,3-thiazol-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylate (PubChem CID 81494571) has the molecular formula C12H11N3O2S2 and a molecular weight of 293.37 g/mol. Its IUPAC name is ethyl 3-methyl-6-(1,3-thiazol-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-methyl-6-(1,3-thiazol-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylate
PubChem CID81494571
Molecular FormulaC12H11N3O2S2
Molecular Weight293.37 g/mol
Exact Mass293.03
IUPAC Nameethyl 3-methyl-6-(1,3-thiazol-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylate
SMILESCCOC(=O)c1sc2nc(-c3nccs3)cn2c1C
InChIInChI=1S/C12H11N3O2S2/c1-3-17-11(16)9-7(2)15-6-8(14-12(15)19-9)10-13-4-5-18-10/h4-6H,3H2,1-2H3
InChIKeyWELNULQQEVEOSJ-UHFFFAOYSA-N
XLogP3.00
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-6-(1,3-thiazol-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylate?
The IUPAC name of ethyl 3-methyl-6-(1,3-thiazol-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylate (CID 81494571) is ethyl 3-methyl-6-(1,3-thiazol-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylate.
What is the SMILES notation for ethyl 3-methyl-6-(1,3-thiazol-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylate?
The canonical SMILES for ethyl 3-methyl-6-(1,3-thiazol-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylate is CCOC(=O)c1sc2nc(-c3nccs3)cn2c1C.
What is the InChIKey of ethyl 3-methyl-6-(1,3-thiazol-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylate?
The InChIKey is WELNULQQEVEOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2S2/c1-3-17-11(16)9-7(2)15-6-8(14-12(15)19-9)10-13-4-5-18-10/h4-6H,3H2,1-2H3.
What are the key properties of ethyl 3-methyl-6-(1,3-thiazol-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylate?
ethyl 3-methyl-6-(1,3-thiazol-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylate has a molecular weight of 293.37 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-6-(1,3-thiazol-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylate is sourced from PubChem (CID 81494571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).