N-[3-[6-(4-amino-3-methoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]phenyl]morpholine-4-carboxamide

C24H23N5O3S — CID 162644068

IUPACN-[3-[6-(4-amino-3-methoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]phenyl]morpholine-4-carboxamide
SMILESCOc1cc(-c2cnc3c(-c4cccc(NC(=O)N5CCOCC5)c4)snc3c2)ccc1N
InChIInChI=1S/C24H23N5O3S/c1-31-21-13-15(5-6-19(21)25)17-12-20-22(26-14-17)23(33-28-20)16-3-2-4-18(11-16)27-24(30)29-7-9-32-10-8-29/h2-6,11-14H,7-10,25H2,1H3,(H,27,30)
InChIKeyRKKXNLSIYBRUEL-UHFFFAOYSA-N
MW461.55 g/mol
LogP4.48
Rot. Bonds4

About N-[3-[6-(4-amino-3-methoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]phenyl]morpholine-4-carboxamide

N-[3-[6-(4-amino-3-methoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]phenyl]morpholine-4-carboxamide (PubChem CID 162644068) has the molecular formula C24H23N5O3S and a molecular weight of 461.55 g/mol. Its IUPAC name is N-[3-[6-(4-amino-3-methoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]phenyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[6-(4-amino-3-methoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]phenyl]morpholine-4-carboxamide
PubChem CID162644068
Molecular FormulaC24H23N5O3S
Molecular Weight461.55 g/mol
Exact Mass461.15
IUPAC NameN-[3-[6-(4-amino-3-methoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]phenyl]morpholine-4-carboxamide
SMILESCOc1cc(-c2cnc3c(-c4cccc(NC(=O)N5CCOCC5)c4)snc3c2)ccc1N
InChIInChI=1S/C24H23N5O3S/c1-31-21-13-15(5-6-19(21)25)17-12-20-22(26-14-17)23(33-28-20)16-3-2-4-18(11-16)27-24(30)29-7-9-32-10-8-29/h2-6,11-14H,7-10,25H2,1H3,(H,27,30)
InChIKeyRKKXNLSIYBRUEL-UHFFFAOYSA-N
XLogP4.48
TPSA102.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.55
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[3-[6-(4-amino-3-methoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]phenyl]morpholine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[6-(4-amino-3-methoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]phenyl]morpholine-4-carboxamide?
The IUPAC name of N-[3-[6-(4-amino-3-methoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]phenyl]morpholine-4-carboxamide (CID 162644068) is N-[3-[6-(4-amino-3-methoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]phenyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[3-[6-(4-amino-3-methoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]phenyl]morpholine-4-carboxamide?
The canonical SMILES for N-[3-[6-(4-amino-3-methoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]phenyl]morpholine-4-carboxamide is COc1cc(-c2cnc3c(-c4cccc(NC(=O)N5CCOCC5)c4)snc3c2)ccc1N.
What is the InChIKey of N-[3-[6-(4-amino-3-methoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]phenyl]morpholine-4-carboxamide?
The InChIKey is RKKXNLSIYBRUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3S/c1-31-21-13-15(5-6-19(21)25)17-12-20-22(26-14-17)23(33-28-20)16-3-2-4-18(11-16)27-24(30)29-7-9-32-10-8-29/h2-6,11-14H,7-10,25H2,1H3,(H,27,30).
What are the key properties of N-[3-[6-(4-amino-3-methoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]phenyl]morpholine-4-carboxamide?
N-[3-[6-(4-amino-3-methoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]phenyl]morpholine-4-carboxamide has a molecular weight of 461.55 g/mol, XLogP of 4.48, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-(4-amino-3-methoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]phenyl]morpholine-4-carboxamide is sourced from PubChem (CID 162644068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).