ethyl 3-methyl-6-pyridin-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxylate

C14H13N3O2S — CID 79022280

IUPACethyl 3-methyl-6-pyridin-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxylate
SMILESCCOC(=O)c1sc2nc(-c3ccccn3)cn2c1C
InChIInChI=1S/C14H13N3O2S/c1-3-19-13(18)12-9(2)17-8-11(16-14(17)20-12)10-6-4-5-7-15-10/h4-8H,3H2,1-2H3
InChIKeyPCNXFTOZJHJKJQ-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.94
Rot. Bonds3

About ethyl 3-methyl-6-pyridin-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxylate

ethyl 3-methyl-6-pyridin-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxylate (PubChem CID 79022280) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is ethyl 3-methyl-6-pyridin-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-methyl-6-pyridin-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxylate
PubChem CID79022280
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC Nameethyl 3-methyl-6-pyridin-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxylate
SMILESCCOC(=O)c1sc2nc(-c3ccccn3)cn2c1C
InChIInChI=1S/C14H13N3O2S/c1-3-19-13(18)12-9(2)17-8-11(16-14(17)20-12)10-6-4-5-7-15-10/h4-8H,3H2,1-2H3
InChIKeyPCNXFTOZJHJKJQ-UHFFFAOYSA-N
XLogP2.94
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-methyl-6-pyrazin-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 81495842
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CID 19224535
ethyl 3-methyl-6-(1,3-thiazol-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 81494571
ethyl 6-(5-ethylthiophen-2-yl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 81496961
ethyl 6-(2,5-dimethylfuran-3-yl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 81496957
ethyl 3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 14801951
ethyl 6-[4-(methanesulfonamido)phenyl]-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 170609694
ethyl 4-(2,6-dipyridin-2-yl-4-pyridinyl)benzoate
CID 102197724
ethyl 6-propan-2-yl-3-pyridin-2-yl-4H-thieno[3,2-b]pyrrole-2-carboxylate
CID 175940269
ethane;ethyl 2-[(3-methyl-2-pyridinyl)amino]-4-pyridin-2-yl-1,3-thiazole-5-carboxylate
CID 144727498
ethyl 5-anilino-3-phenyl-4-pyridin-2-ylthiophene-2-carboxylate
CID 132520423
diethyl 2-pyridin-2-ylpyridine-3,4-dicarboxylate;ruthenium
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Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-6-pyridin-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxylate?
The IUPAC name of ethyl 3-methyl-6-pyridin-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxylate (CID 79022280) is ethyl 3-methyl-6-pyridin-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxylate.
What is the SMILES notation for ethyl 3-methyl-6-pyridin-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxylate?
The canonical SMILES for ethyl 3-methyl-6-pyridin-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxylate is CCOC(=O)c1sc2nc(-c3ccccn3)cn2c1C.
What is the InChIKey of ethyl 3-methyl-6-pyridin-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxylate?
The InChIKey is PCNXFTOZJHJKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c1-3-19-13(18)12-9(2)17-8-11(16-14(17)20-12)10-6-4-5-7-15-10/h4-8H,3H2,1-2H3.
What are the key properties of ethyl 3-methyl-6-pyridin-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxylate?
ethyl 3-methyl-6-pyridin-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxylate has a molecular weight of 287.34 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-6-pyridin-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxylate is sourced from PubChem (CID 79022280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).