N-(2-aminophenyl)-4-[4-(4-imidazo[1,2-a]pyridin-3-yl-5-methyl-1,3-thiazol-2-yl)oxan-4-yl]benzamide

C29H27N5O2S — CID 44623556

IUPACN-(2-aminophenyl)-4-[4-(4-imidazo[1,2-a]pyridin-3-yl-5-methyl-1,3-thiazol-2-yl)oxan-4-yl]benzamide
SMILESCc1sc(C2(c3ccc(C(=O)Nc4ccccc4N)cc3)CCOCC2)nc1-c1cnc2ccccn12
InChIInChI=1S/C29H27N5O2S/c1-19-26(24-18-31-25-8-4-5-15-34(24)25)33-28(37-19)29(13-16-36-17-14-29)21-11-9-20(10-12-21)27(35)32-23-7-3-2-6-22(23)30/h2-12,15,18H,13-14,16-17,30H2,1H3,(H,32,35)
InChIKeyJIUMHRZOADUKLF-UHFFFAOYSA-N
MW509.64 g/mol
LogP5.70
Rot. Bonds5

About N-(2-aminophenyl)-4-[4-(4-imidazo[1,2-a]pyridin-3-yl-5-methyl-1,3-thiazol-2-yl)oxan-4-yl]benzamide

N-(2-aminophenyl)-4-[4-(4-imidazo[1,2-a]pyridin-3-yl-5-methyl-1,3-thiazol-2-yl)oxan-4-yl]benzamide (PubChem CID 44623556) has the molecular formula C29H27N5O2S and a molecular weight of 509.64 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[4-(4-imidazo[1,2-a]pyridin-3-yl-5-methyl-1,3-thiazol-2-yl)oxan-4-yl]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[4-(4-imidazo[1,2-a]pyridin-3-yl-5-methyl-1,3-thiazol-2-yl)oxan-4-yl]benzamide
PubChem CID44623556
Molecular FormulaC29H27N5O2S
Molecular Weight509.64 g/mol
Exact Mass509.19
IUPAC NameN-(2-aminophenyl)-4-[4-(4-imidazo[1,2-a]pyridin-3-yl-5-methyl-1,3-thiazol-2-yl)oxan-4-yl]benzamide
SMILESCc1sc(C2(c3ccc(C(=O)Nc4ccccc4N)cc3)CCOCC2)nc1-c1cnc2ccccn12
InChIInChI=1S/C29H27N5O2S/c1-19-26(24-18-31-25-8-4-5-15-34(24)25)33-28(37-19)29(13-16-36-17-14-29)21-11-9-20(10-12-21)27(35)32-23-7-3-2-6-22(23)30/h2-12,15,18H,13-14,16-17,30H2,1H3,(H,32,35)
InChIKeyJIUMHRZOADUKLF-UHFFFAOYSA-N
XLogP5.70
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.64
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'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-imidazo[1,2-a]pyridin-3-yl-5-methyl-1,3-thiazol-2-yl)oxan-4-yl]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[4-(4-imidazo[1,2-a]pyridin-3-yl-5-methyl-1,3-thiazol-2-yl)oxan-4-yl]benzamide (CID 44623556) is N-(2-aminophenyl)-4-[4-(4-imidazo[1,2-a]pyridin-3-yl-5-methyl-1,3-thiazol-2-yl)oxan-4-yl]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[4-(4-imidazo[1,2-a]pyridin-3-yl-5-methyl-1,3-thiazol-2-yl)oxan-4-yl]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[4-(4-imidazo[1,2-a]pyridin-3-yl-5-methyl-1,3-thiazol-2-yl)oxan-4-yl]benzamide is Cc1sc(C2(c3ccc(C(=O)Nc4ccccc4N)cc3)CCOCC2)nc1-c1cnc2ccccn12.
What is the InChIKey of N-(2-aminophenyl)-4-[4-(4-imidazo[1,2-a]pyridin-3-yl-5-methyl-1,3-thiazol-2-yl)oxan-4-yl]benzamide?
The InChIKey is JIUMHRZOADUKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N5O2S/c1-19-26(24-18-31-25-8-4-5-15-34(24)25)33-28(37-19)29(13-16-36-17-14-29)21-11-9-20(10-12-21)27(35)32-23-7-3-2-6-22(23)30/h2-12,15,18H,13-14,16-17,30H2,1H3,(H,32,35).
What are the key properties of N-(2-aminophenyl)-4-[4-(4-imidazo[1,2-a]pyridin-3-yl-5-methyl-1,3-thiazol-2-yl)oxan-4-yl]benzamide?
N-(2-aminophenyl)-4-[4-(4-imidazo[1,2-a]pyridin-3-yl-5-methyl-1,3-thiazol-2-yl)oxan-4-yl]benzamide has a molecular weight of 509.64 g/mol, XLogP of 5.70, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[4-(4-imidazo[1,2-a]pyridin-3-yl-5-methyl-1,3-thiazol-2-yl)oxan-4-yl]benzamide is sourced from PubChem (CID 44623556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).