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

C24H26N4O2S — CID 58207970

IUPACethyl 6-[2-[[(2R)-butan-2-yl]amino]-1,3-thiazol-5-yl]-2-methyl-8-phenylimidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)nc2c(-c3ccccc3)cc(-c3cnc(N[C@H](C)CC)s3)cn12
InChIInChI=1S/C24H26N4O2S/c1-5-15(3)26-24-25-13-20(31-24)18-12-19(17-10-8-7-9-11-17)22-27-16(4)21(28(22)14-18)23(29)30-6-2/h7-15H,5-6H2,1-4H3,(H,25,26)/t15-/m1/s1
InChIKeyBOMZDMLHNGXBKO-OAHLLOKOSA-N
MW434.57 g/mol
LogP5.82
Rot. Bonds7

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

ethyl 6-[2-[[(2R)-butan-2-yl]amino]-1,3-thiazol-5-yl]-2-methyl-8-phenylimidazo[1,2-a]pyridine-3-carboxylate (PubChem CID 58207970) has the molecular formula C24H26N4O2S and a molecular weight of 434.57 g/mol. Its IUPAC name is ethyl 6-[2-[[(2R)-butan-2-yl]amino]-1,3-thiazol-5-yl]-2-methyl-8-phenylimidazo[1,2-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[2-[[(2R)-butan-2-yl]amino]-1,3-thiazol-5-yl]-2-methyl-8-phenylimidazo[1,2-a]pyridine-3-carboxylate
PubChem CID58207970
Molecular FormulaC24H26N4O2S
Molecular Weight434.57 g/mol
Exact Mass434.18
IUPAC Nameethyl 6-[2-[[(2R)-butan-2-yl]amino]-1,3-thiazol-5-yl]-2-methyl-8-phenylimidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)nc2c(-c3ccccc3)cc(-c3cnc(N[C@H](C)CC)s3)cn12
InChIInChI=1S/C24H26N4O2S/c1-5-15(3)26-24-25-13-20(31-24)18-12-19(17-10-8-7-9-11-17)22-27-16(4)21(28(22)14-18)23(29)30-6-2/h7-15H,5-6H2,1-4H3,(H,25,26)/t15-/m1/s1
InChIKeyBOMZDMLHNGXBKO-OAHLLOKOSA-N
XLogP5.82
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.57
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-[2-[[(2R)-butan-2-yl]amino]-1,3-thiazol-5-yl]-2-methyl-8-phenylimidazo[1,2-a]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-[2-[[(2R)-butan-2-yl]amino]-1,3-thiazol-5-yl]-2-methyl-8-phenylimidazo[1,2-a]pyridine-3-carboxylate (CID 58207970) is ethyl 6-[2-[[(2R)-butan-2-yl]amino]-1,3-thiazol-5-yl]-2-methyl-8-phenylimidazo[1,2-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-[2-[[(2R)-butan-2-yl]amino]-1,3-thiazol-5-yl]-2-methyl-8-phenylimidazo[1,2-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-[2-[[(2R)-butan-2-yl]amino]-1,3-thiazol-5-yl]-2-methyl-8-phenylimidazo[1,2-a]pyridine-3-carboxylate is CCOC(=O)c1c(C)nc2c(-c3ccccc3)cc(-c3cnc(N[C@H](C)CC)s3)cn12.
What is the InChIKey of ethyl 6-[2-[[(2R)-butan-2-yl]amino]-1,3-thiazol-5-yl]-2-methyl-8-phenylimidazo[1,2-a]pyridine-3-carboxylate?
The InChIKey is BOMZDMLHNGXBKO-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H26N4O2S/c1-5-15(3)26-24-25-13-20(31-24)18-12-19(17-10-8-7-9-11-17)22-27-16(4)21(28(22)14-18)23(29)30-6-2/h7-15H,5-6H2,1-4H3,(H,25,26)/t15-/m1/s1.
What are the key properties of ethyl 6-[2-[[(2R)-butan-2-yl]amino]-1,3-thiazol-5-yl]-2-methyl-8-phenylimidazo[1,2-a]pyridine-3-carboxylate?
ethyl 6-[2-[[(2R)-butan-2-yl]amino]-1,3-thiazol-5-yl]-2-methyl-8-phenylimidazo[1,2-a]pyridine-3-carboxylate has a molecular weight of 434.57 g/mol, XLogP of 5.82, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[2-[[(2R)-butan-2-yl]amino]-1,3-thiazol-5-yl]-2-methyl-8-phenylimidazo[1,2-a]pyridine-3-carboxylate is sourced from PubChem (CID 58207970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).