ethyl 6-(2-amino-1,3-thiazol-5-yl)-8-phenylimidazo[1,2-a]pyridine-2-carboxylate

C19H16N4O2S — CID 58207980

IUPACethyl 6-(2-amino-1,3-thiazol-5-yl)-8-phenylimidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1cn2cc(-c3cnc(N)s3)cc(-c3ccccc3)c2n1
InChIInChI=1S/C19H16N4O2S/c1-2-25-18(24)15-11-23-10-13(16-9-21-19(20)26-16)8-14(17(23)22-15)12-6-4-3-5-7-12/h3-11H,2H2,1H3,(H2,20,21)
InChIKeyRLPQJFPHDWGVDW-UHFFFAOYSA-N
MW364.43 g/mol
LogP3.88
Rot. Bonds4

About ethyl 6-(2-amino-1,3-thiazol-5-yl)-8-phenylimidazo[1,2-a]pyridine-2-carboxylate

ethyl 6-(2-amino-1,3-thiazol-5-yl)-8-phenylimidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 58207980) has the molecular formula C19H16N4O2S and a molecular weight of 364.43 g/mol. Its IUPAC name is ethyl 6-(2-amino-1,3-thiazol-5-yl)-8-phenylimidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-(2-amino-1,3-thiazol-5-yl)-8-phenylimidazo[1,2-a]pyridine-2-carboxylate
PubChem CID58207980
Molecular FormulaC19H16N4O2S
Molecular Weight364.43 g/mol
Exact Mass364.10
IUPAC Nameethyl 6-(2-amino-1,3-thiazol-5-yl)-8-phenylimidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1cn2cc(-c3cnc(N)s3)cc(-c3ccccc3)c2n1
InChIInChI=1S/C19H16N4O2S/c1-2-25-18(24)15-11-23-10-13(16-9-21-19(20)26-16)8-14(17(23)22-15)12-6-4-3-5-7-12/h3-11H,2H2,1H3,(H2,20,21)
InChIKeyRLPQJFPHDWGVDW-UHFFFAOYSA-N
XLogP3.88
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-(2-amino-1,3-thiazol-5-yl)-8-phenylimidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of ethyl 6-(2-amino-1,3-thiazol-5-yl)-8-phenylimidazo[1,2-a]pyridine-2-carboxylate (CID 58207980) is ethyl 6-(2-amino-1,3-thiazol-5-yl)-8-phenylimidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-(2-amino-1,3-thiazol-5-yl)-8-phenylimidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for ethyl 6-(2-amino-1,3-thiazol-5-yl)-8-phenylimidazo[1,2-a]pyridine-2-carboxylate is CCOC(=O)c1cn2cc(-c3cnc(N)s3)cc(-c3ccccc3)c2n1.
What is the InChIKey of ethyl 6-(2-amino-1,3-thiazol-5-yl)-8-phenylimidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is RLPQJFPHDWGVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S/c1-2-25-18(24)15-11-23-10-13(16-9-21-19(20)26-16)8-14(17(23)22-15)12-6-4-3-5-7-12/h3-11H,2H2,1H3,(H2,20,21).
What are the key properties of ethyl 6-(2-amino-1,3-thiazol-5-yl)-8-phenylimidazo[1,2-a]pyridine-2-carboxylate?
ethyl 6-(2-amino-1,3-thiazol-5-yl)-8-phenylimidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 364.43 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(2-amino-1,3-thiazol-5-yl)-8-phenylimidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 58207980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).