ethyl 6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylate

C15H14N2O3S — CID 91757014

IUPACethyl 6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylate
SMILESCCOC(=O)c1csc2nc(-c3cccc(OC)c3)cn12
InChIInChI=1S/C15H14N2O3S/c1-3-20-14(18)13-9-21-15-16-12(8-17(13)15)10-5-4-6-11(7-10)19-2/h4-9H,3H2,1-2H3
InChIKeySFIQFDOMWKOJOV-UHFFFAOYSA-N
MW302.36 g/mol
LogP3.25
Rot. Bonds4

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

ethyl 6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylate (PubChem CID 91757014) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is ethyl 6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylate
PubChem CID91757014
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC Nameethyl 6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylate
SMILESCCOC(=O)c1csc2nc(-c3cccc(OC)c3)cn12
InChIInChI=1S/C15H14N2O3S/c1-3-20-14(18)13-9-21-15-16-12(8-17(13)15)10-5-4-6-11(7-10)19-2/h4-9H,3H2,1-2H3
InChIKeySFIQFDOMWKOJOV-UHFFFAOYSA-N
XLogP3.25
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylate?
The IUPAC name of ethyl 6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylate (CID 91757014) is ethyl 6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylate.
What is the SMILES notation for ethyl 6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylate?
The canonical SMILES for ethyl 6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylate is CCOC(=O)c1csc2nc(-c3cccc(OC)c3)cn12.
What is the InChIKey of ethyl 6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylate?
The InChIKey is SFIQFDOMWKOJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c1-3-20-14(18)13-9-21-15-16-12(8-17(13)15)10-5-4-6-11(7-10)19-2/h4-9H,3H2,1-2H3.
What are the key properties of ethyl 6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylate?
ethyl 6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylate has a molecular weight of 302.36 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylate is sourced from PubChem (CID 91757014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).