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

C24H26N4O3S — CID 58207896

IUPACethyl 6-[2-(1-ethoxypropan-2-ylamino)-1,3-thiazol-5-yl]-8-phenylimidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOCC(C)Nc1ncc(-c2cc(-c3ccccc3)c3nc(C(=O)OCC)cn3c2)s1
InChIInChI=1S/C24H26N4O3S/c1-4-30-15-16(3)26-24-25-12-21(32-24)18-11-19(17-9-7-6-8-10-17)22-27-20(14-28(22)13-18)23(29)31-5-2/h6-14,16H,4-5,15H2,1-3H3,(H,25,26)
InChIKeyQHLRXRNMTYSTKK-UHFFFAOYSA-N
MW450.56 g/mol
LogP5.14
Rot. Bonds9

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

ethyl 6-[2-(1-ethoxypropan-2-ylamino)-1,3-thiazol-5-yl]-8-phenylimidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 58207896) has the molecular formula C24H26N4O3S and a molecular weight of 450.56 g/mol. Its IUPAC name is ethyl 6-[2-(1-ethoxypropan-2-ylamino)-1,3-thiazol-5-yl]-8-phenylimidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-[2-(1-ethoxypropan-2-ylamino)-1,3-thiazol-5-yl]-8-phenylimidazo[1,2-a]pyridine-2-carboxylate
PubChem CID58207896
Molecular FormulaC24H26N4O3S
Molecular Weight450.56 g/mol
Exact Mass450.17
IUPAC Nameethyl 6-[2-(1-ethoxypropan-2-ylamino)-1,3-thiazol-5-yl]-8-phenylimidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOCC(C)Nc1ncc(-c2cc(-c3ccccc3)c3nc(C(=O)OCC)cn3c2)s1
InChIInChI=1S/C24H26N4O3S/c1-4-30-15-16(3)26-24-25-12-21(32-24)18-11-19(17-9-7-6-8-10-17)22-27-20(14-28(22)13-18)23(29)31-5-2/h6-14,16H,4-5,15H2,1-3H3,(H,25,26)
InChIKeyQHLRXRNMTYSTKK-UHFFFAOYSA-N
XLogP5.14
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.56
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-[2-(1-ethoxypropan-2-ylamino)-1,3-thiazol-5-yl]-8-phenylimidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of ethyl 6-[2-(1-ethoxypropan-2-ylamino)-1,3-thiazol-5-yl]-8-phenylimidazo[1,2-a]pyridine-2-carboxylate (CID 58207896) is ethyl 6-[2-(1-ethoxypropan-2-ylamino)-1,3-thiazol-5-yl]-8-phenylimidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-[2-(1-ethoxypropan-2-ylamino)-1,3-thiazol-5-yl]-8-phenylimidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for ethyl 6-[2-(1-ethoxypropan-2-ylamino)-1,3-thiazol-5-yl]-8-phenylimidazo[1,2-a]pyridine-2-carboxylate is CCOCC(C)Nc1ncc(-c2cc(-c3ccccc3)c3nc(C(=O)OCC)cn3c2)s1.
What is the InChIKey of ethyl 6-[2-(1-ethoxypropan-2-ylamino)-1,3-thiazol-5-yl]-8-phenylimidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is QHLRXRNMTYSTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3S/c1-4-30-15-16(3)26-24-25-12-21(32-24)18-11-19(17-9-7-6-8-10-17)22-27-20(14-28(22)13-18)23(29)31-5-2/h6-14,16H,4-5,15H2,1-3H3,(H,25,26).
What are the key properties of ethyl 6-[2-(1-ethoxypropan-2-ylamino)-1,3-thiazol-5-yl]-8-phenylimidazo[1,2-a]pyridine-2-carboxylate?
ethyl 6-[2-(1-ethoxypropan-2-ylamino)-1,3-thiazol-5-yl]-8-phenylimidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 450.56 g/mol, XLogP of 5.14, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[2-(1-ethoxypropan-2-ylamino)-1,3-thiazol-5-yl]-8-phenylimidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 58207896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).