methyl 4-[4-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]oxan-4-yl]benzoate

C24H23N3O3S — CID 59160950

IUPACmethyl 4-[4-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]oxan-4-yl]benzoate
SMILESCOC(=O)c1ccc(C2(c3nc(-c4c(C)nc5ccccn45)cs3)CCOCC2)cc1
InChIInChI=1S/C24H23N3O3S/c1-16-21(27-12-4-3-5-20(27)25-16)19-15-31-23(26-19)24(10-13-30-14-11-24)18-8-6-17(7-9-18)22(28)29-2/h3-9,12,15H,10-11,13-14H2,1-2H3
InChIKeyLDOAQFDLDPLFJE-UHFFFAOYSA-N
MW433.53 g/mol
LogP4.65
Rot. Bonds4

About methyl 4-[4-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]oxan-4-yl]benzoate

methyl 4-[4-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]oxan-4-yl]benzoate (PubChem CID 59160950) has the molecular formula C24H23N3O3S and a molecular weight of 433.53 g/mol. Its IUPAC name is methyl 4-[4-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]oxan-4-yl]benzoate.

Molecular Properties

Compound Namemethyl 4-[4-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]oxan-4-yl]benzoate
PubChem CID59160950
Molecular FormulaC24H23N3O3S
Molecular Weight433.53 g/mol
Exact Mass433.15
IUPAC Namemethyl 4-[4-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]oxan-4-yl]benzoate
SMILESCOC(=O)c1ccc(C2(c3nc(-c4c(C)nc5ccccn45)cs3)CCOCC2)cc1
InChIInChI=1S/C24H23N3O3S/c1-16-21(27-12-4-3-5-20(27)25-16)19-15-31-23(26-19)24(10-13-30-14-11-24)18-8-6-17(7-9-18)22(28)29-2/h3-9,12,15H,10-11,13-14H2,1-2H3
InChIKeyLDOAQFDLDPLFJE-UHFFFAOYSA-N
XLogP4.65
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[4-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]oxan-4-yl]benzoate?
The IUPAC name of methyl 4-[4-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]oxan-4-yl]benzoate (CID 59160950) is methyl 4-[4-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]oxan-4-yl]benzoate.
What is the SMILES notation for methyl 4-[4-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]oxan-4-yl]benzoate?
The canonical SMILES for methyl 4-[4-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]oxan-4-yl]benzoate is COC(=O)c1ccc(C2(c3nc(-c4c(C)nc5ccccn45)cs3)CCOCC2)cc1.
What is the InChIKey of methyl 4-[4-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]oxan-4-yl]benzoate?
The InChIKey is LDOAQFDLDPLFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3S/c1-16-21(27-12-4-3-5-20(27)25-16)19-15-31-23(26-19)24(10-13-30-14-11-24)18-8-6-17(7-9-18)22(28)29-2/h3-9,12,15H,10-11,13-14H2,1-2H3.
What are the key properties of methyl 4-[4-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]oxan-4-yl]benzoate?
methyl 4-[4-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]oxan-4-yl]benzoate has a molecular weight of 433.53 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[4-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]oxan-4-yl]benzoate is sourced from PubChem (CID 59160950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).