N-(2-aminophenyl)-4-[4-[4-[6-(2-methoxyethoxy)-2-methylimidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]oxan-4-yl]benzamide

C32H33N5O4S — CID 66619129

IUPACN-(2-aminophenyl)-4-[4-[4-[6-(2-methoxyethoxy)-2-methylimidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]oxan-4-yl]benzamide
SMILESCOCCOc1ccc2nc(C)c(-c3csc(C4(c5ccc(C(=O)Nc6ccccc6N)cc5)CCOCC4)n3)n2c1
InChIInChI=1S/C32H33N5O4S/c1-21-29(37-19-24(41-18-17-39-2)11-12-28(37)34-21)27-20-42-31(36-27)32(13-15-40-16-14-32)23-9-7-22(8-10-23)30(38)35-26-6-4-3-5-25(26)33/h3-12,19-20H,13-18,33H2,1-2H3,(H,35,38)
InChIKeyOPIYKLPOJSWRBK-UHFFFAOYSA-N
MW583.71 g/mol
LogP5.72
Rot. Bonds9

About N-(2-aminophenyl)-4-[4-[4-[6-(2-methoxyethoxy)-2-methylimidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]oxan-4-yl]benzamide

N-(2-aminophenyl)-4-[4-[4-[6-(2-methoxyethoxy)-2-methylimidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]oxan-4-yl]benzamide (PubChem CID 66619129) has the molecular formula C32H33N5O4S and a molecular weight of 583.71 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[4-[4-[6-(2-methoxyethoxy)-2-methylimidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]oxan-4-yl]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[4-[4-[6-(2-methoxyethoxy)-2-methylimidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]oxan-4-yl]benzamide
PubChem CID66619129
Molecular FormulaC32H33N5O4S
Molecular Weight583.71 g/mol
Exact Mass583.23
IUPAC NameN-(2-aminophenyl)-4-[4-[4-[6-(2-methoxyethoxy)-2-methylimidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]oxan-4-yl]benzamide
SMILESCOCCOc1ccc2nc(C)c(-c3csc(C4(c5ccc(C(=O)Nc6ccccc6N)cc5)CCOCC4)n3)n2c1
InChIInChI=1S/C32H33N5O4S/c1-21-29(37-19-24(41-18-17-39-2)11-12-28(37)34-21)27-20-42-31(36-27)32(13-15-40-16-14-32)23-9-7-22(8-10-23)30(38)35-26-6-4-3-5-25(26)33/h3-12,19-20H,13-18,33H2,1-2H3,(H,35,38)
InChIKeyOPIYKLPOJSWRBK-UHFFFAOYSA-N
XLogP5.72
TPSA113.00 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.71
LogP ≤ 55.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[4-[4-[6-(2-methoxyethoxy)-2-methylimidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]oxan-4-yl]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[4-[4-[6-(2-methoxyethoxy)-2-methylimidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]oxan-4-yl]benzamide (CID 66619129) is N-(2-aminophenyl)-4-[4-[4-[6-(2-methoxyethoxy)-2-methylimidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]oxan-4-yl]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[4-[4-[6-(2-methoxyethoxy)-2-methylimidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]oxan-4-yl]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[4-[4-[6-(2-methoxyethoxy)-2-methylimidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]oxan-4-yl]benzamide is COCCOc1ccc2nc(C)c(-c3csc(C4(c5ccc(C(=O)Nc6ccccc6N)cc5)CCOCC4)n3)n2c1.
What is the InChIKey of N-(2-aminophenyl)-4-[4-[4-[6-(2-methoxyethoxy)-2-methylimidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]oxan-4-yl]benzamide?
The InChIKey is OPIYKLPOJSWRBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33N5O4S/c1-21-29(37-19-24(41-18-17-39-2)11-12-28(37)34-21)27-20-42-31(36-27)32(13-15-40-16-14-32)23-9-7-22(8-10-23)30(38)35-26-6-4-3-5-25(26)33/h3-12,19-20H,13-18,33H2,1-2H3,(H,35,38).
What are the key properties of N-(2-aminophenyl)-4-[4-[4-[6-(2-methoxyethoxy)-2-methylimidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]oxan-4-yl]benzamide?
N-(2-aminophenyl)-4-[4-[4-[6-(2-methoxyethoxy)-2-methylimidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]oxan-4-yl]benzamide has a molecular weight of 583.71 g/mol, XLogP of 5.72, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[4-[4-[6-(2-methoxyethoxy)-2-methylimidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]oxan-4-yl]benzamide is sourced from PubChem (CID 66619129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).