N-(2-aminophenyl)-4-[4-[4-(8-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]oxan-4-yl]benzamide

C29H26FN5O2S — CID 66619432

IUPACN-(2-aminophenyl)-4-[4-[4-(8-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]oxan-4-yl]benzamide
SMILESCc1nc2c(F)cccn2c1-c1csc(C2(c3ccc(C(=O)Nc4ccccc4N)cc3)CCOCC2)n1
InChIInChI=1S/C29H26FN5O2S/c1-18-25(35-14-4-5-21(30)26(35)32-18)24-17-38-28(34-24)29(12-15-37-16-13-29)20-10-8-19(9-11-20)27(36)33-23-7-3-2-6-22(23)31/h2-11,14,17H,12-13,15-16,31H2,1H3,(H,33,36)
InChIKeyPFSLGQSFENORMM-UHFFFAOYSA-N
MW527.63 g/mol
LogP5.84
Rot. Bonds5

About N-(2-aminophenyl)-4-[4-[4-(8-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]oxan-4-yl]benzamide

N-(2-aminophenyl)-4-[4-[4-(8-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]oxan-4-yl]benzamide (PubChem CID 66619432) has the molecular formula C29H26FN5O2S and a molecular weight of 527.63 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[4-[4-(8-fluoro-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-(8-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]oxan-4-yl]benzamide
PubChem CID66619432
Molecular FormulaC29H26FN5O2S
Molecular Weight527.63 g/mol
Exact Mass527.18
IUPAC NameN-(2-aminophenyl)-4-[4-[4-(8-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]oxan-4-yl]benzamide
SMILESCc1nc2c(F)cccn2c1-c1csc(C2(c3ccc(C(=O)Nc4ccccc4N)cc3)CCOCC2)n1
InChIInChI=1S/C29H26FN5O2S/c1-18-25(35-14-4-5-21(30)26(35)32-18)24-17-38-28(34-24)29(12-15-37-16-13-29)20-10-8-19(9-11-20)27(36)33-23-7-3-2-6-22(23)31/h2-11,14,17H,12-13,15-16,31H2,1H3,(H,33,36)
InChIKeyPFSLGQSFENORMM-UHFFFAOYSA-N
XLogP5.84
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.63
LogP ≤ 55.84
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-(8-fluoro-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-(8-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]oxan-4-yl]benzamide (CID 66619432) is N-(2-aminophenyl)-4-[4-[4-(8-fluoro-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-(8-fluoro-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-(8-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]oxan-4-yl]benzamide is Cc1nc2c(F)cccn2c1-c1csc(C2(c3ccc(C(=O)Nc4ccccc4N)cc3)CCOCC2)n1.
What is the InChIKey of N-(2-aminophenyl)-4-[4-[4-(8-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]oxan-4-yl]benzamide?
The InChIKey is PFSLGQSFENORMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26FN5O2S/c1-18-25(35-14-4-5-21(30)26(35)32-18)24-17-38-28(34-24)29(12-15-37-16-13-29)20-10-8-19(9-11-20)27(36)33-23-7-3-2-6-22(23)31/h2-11,14,17H,12-13,15-16,31H2,1H3,(H,33,36).
What are the key properties of N-(2-aminophenyl)-4-[4-[4-(8-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]oxan-4-yl]benzamide?
N-(2-aminophenyl)-4-[4-[4-(8-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]oxan-4-yl]benzamide has a molecular weight of 527.63 g/mol, XLogP of 5.84, 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-(8-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]oxan-4-yl]benzamide is sourced from PubChem (CID 66619432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).