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

C23H21N3O3S — CID 59160848

IUPAC4-[4-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]oxan-4-yl]benzoic acid
SMILESCc1nc2ccccn2c1-c1csc(C2(c3ccc(C(=O)O)cc3)CCOCC2)n1
InChIInChI=1S/C23H21N3O3S/c1-15-20(26-11-3-2-4-19(26)24-15)18-14-30-22(25-18)23(9-12-29-13-10-23)17-7-5-16(6-8-17)21(27)28/h2-8,11,14H,9-10,12-13H2,1H3,(H,27,28)
InChIKeyJJYHDCBEXUWHBZ-UHFFFAOYSA-N
MW419.51 g/mol
LogP4.56
Rot. Bonds4

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

4-[4-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]oxan-4-yl]benzoic acid (PubChem CID 59160848) has the molecular formula C23H21N3O3S and a molecular weight of 419.51 g/mol. Its IUPAC name is 4-[4-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]oxan-4-yl]benzoic acid.

Molecular Properties

Compound Name4-[4-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]oxan-4-yl]benzoic acid
PubChem CID59160848
Molecular FormulaC23H21N3O3S
Molecular Weight419.51 g/mol
Exact Mass419.13
IUPAC Name4-[4-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]oxan-4-yl]benzoic acid
SMILESCc1nc2ccccn2c1-c1csc(C2(c3ccc(C(=O)O)cc3)CCOCC2)n1
InChIInChI=1S/C23H21N3O3S/c1-15-20(26-11-3-2-4-19(26)24-15)18-14-30-22(25-18)23(9-12-29-13-10-23)17-7-5-16(6-8-17)21(27)28/h2-8,11,14H,9-10,12-13H2,1H3,(H,27,28)
InChIKeyJJYHDCBEXUWHBZ-UHFFFAOYSA-N
XLogP4.56
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.51
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]oxan-4-yl]benzoic acid?
The IUPAC name of 4-[4-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]oxan-4-yl]benzoic acid (CID 59160848) is 4-[4-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]oxan-4-yl]benzoic acid.
What is the SMILES notation for 4-[4-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]oxan-4-yl]benzoic acid?
The canonical SMILES for 4-[4-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]oxan-4-yl]benzoic acid is Cc1nc2ccccn2c1-c1csc(C2(c3ccc(C(=O)O)cc3)CCOCC2)n1.
What is the InChIKey of 4-[4-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]oxan-4-yl]benzoic acid?
The InChIKey is JJYHDCBEXUWHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3S/c1-15-20(26-11-3-2-4-19(26)24-15)18-14-30-22(25-18)23(9-12-29-13-10-23)17-7-5-16(6-8-17)21(27)28/h2-8,11,14H,9-10,12-13H2,1H3,(H,27,28).
What are the key properties of 4-[4-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]oxan-4-yl]benzoic acid?
4-[4-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]oxan-4-yl]benzoic acid has a molecular weight of 419.51 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]oxan-4-yl]benzoic acid is sourced from PubChem (CID 59160848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).