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

C23H24N4O2S — CID 58207946

IUPACethyl 6-[2-[[(2R)-butan-2-yl]amino]-1,3-thiazol-5-yl]-8-phenylimidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1cn2cc(-c3cnc(N[C@H](C)CC)s3)cc(-c3ccccc3)c2n1
InChIInChI=1S/C23H24N4O2S/c1-4-15(3)25-23-24-12-20(30-23)17-11-18(16-9-7-6-8-10-16)21-26-19(14-27(21)13-17)22(28)29-5-2/h6-15H,4-5H2,1-3H3,(H,24,25)/t15-/m1/s1
InChIKeyOXSKFKHQDPPFLI-OAHLLOKOSA-N
MW420.54 g/mol
LogP5.51
Rot. Bonds7

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

ethyl 6-[2-[[(2R)-butan-2-yl]amino]-1,3-thiazol-5-yl]-8-phenylimidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 58207946) has the molecular formula C23H24N4O2S and a molecular weight of 420.54 g/mol. Its IUPAC name is ethyl 6-[2-[[(2R)-butan-2-yl]amino]-1,3-thiazol-5-yl]-8-phenylimidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-[2-[[(2R)-butan-2-yl]amino]-1,3-thiazol-5-yl]-8-phenylimidazo[1,2-a]pyridine-2-carboxylate
PubChem CID58207946
Molecular FormulaC23H24N4O2S
Molecular Weight420.54 g/mol
Exact Mass420.16
IUPAC Nameethyl 6-[2-[[(2R)-butan-2-yl]amino]-1,3-thiazol-5-yl]-8-phenylimidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1cn2cc(-c3cnc(N[C@H](C)CC)s3)cc(-c3ccccc3)c2n1
InChIInChI=1S/C23H24N4O2S/c1-4-15(3)25-23-24-12-20(30-23)17-11-18(16-9-7-6-8-10-16)21-26-19(14-27(21)13-17)22(28)29-5-2/h6-15H,4-5H2,1-3H3,(H,24,25)/t15-/m1/s1
InChIKeyOXSKFKHQDPPFLI-OAHLLOKOSA-N
XLogP5.51
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.54
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[2-[[(2R)-butan-2-yl]amino]-1,3-thiazol-5-yl]-8-phenylimidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of ethyl 6-[2-[[(2R)-butan-2-yl]amino]-1,3-thiazol-5-yl]-8-phenylimidazo[1,2-a]pyridine-2-carboxylate (CID 58207946) is ethyl 6-[2-[[(2R)-butan-2-yl]amino]-1,3-thiazol-5-yl]-8-phenylimidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-[2-[[(2R)-butan-2-yl]amino]-1,3-thiazol-5-yl]-8-phenylimidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for ethyl 6-[2-[[(2R)-butan-2-yl]amino]-1,3-thiazol-5-yl]-8-phenylimidazo[1,2-a]pyridine-2-carboxylate is CCOC(=O)c1cn2cc(-c3cnc(N[C@H](C)CC)s3)cc(-c3ccccc3)c2n1.
What is the InChIKey of ethyl 6-[2-[[(2R)-butan-2-yl]amino]-1,3-thiazol-5-yl]-8-phenylimidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is OXSKFKHQDPPFLI-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H24N4O2S/c1-4-15(3)25-23-24-12-20(30-23)17-11-18(16-9-7-6-8-10-16)21-26-19(14-27(21)13-17)22(28)29-5-2/h6-15H,4-5H2,1-3H3,(H,24,25)/t15-/m1/s1.
What are the key properties of ethyl 6-[2-[[(2R)-butan-2-yl]amino]-1,3-thiazol-5-yl]-8-phenylimidazo[1,2-a]pyridine-2-carboxylate?
ethyl 6-[2-[[(2R)-butan-2-yl]amino]-1,3-thiazol-5-yl]-8-phenylimidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 420.54 g/mol, XLogP of 5.51, 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]-8-phenylimidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 58207946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).