2-methoxy-4-(3-morpholin-4-yl-[1,2]thiazolo[4,3-b]pyridin-6-yl)aniline

C17H18N4O2S — CID 90467922

IUPAC2-methoxy-4-(3-morpholin-4-yl-[1,2]thiazolo[4,3-b]pyridin-6-yl)aniline
SMILESCOc1cc(-c2cnc3c(N4CCOCC4)snc3c2)ccc1N
InChIInChI=1S/C17H18N4O2S/c1-22-15-9-11(2-3-13(15)18)12-8-14-16(19-10-12)17(24-20-14)21-4-6-23-7-5-21/h2-3,8-10H,4-7,18H2,1H3
InChIKeyAAUCXXCMBFZYRT-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.79
Rot. Bonds3

About 2-methoxy-4-(3-morpholin-4-yl-[1,2]thiazolo[4,3-b]pyridin-6-yl)aniline

2-methoxy-4-(3-morpholin-4-yl-[1,2]thiazolo[4,3-b]pyridin-6-yl)aniline (PubChem CID 90467922) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is 2-methoxy-4-(3-morpholin-4-yl-[1,2]thiazolo[4,3-b]pyridin-6-yl)aniline.

Molecular Properties

Compound Name2-methoxy-4-(3-morpholin-4-yl-[1,2]thiazolo[4,3-b]pyridin-6-yl)aniline
PubChem CID90467922
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name2-methoxy-4-(3-morpholin-4-yl-[1,2]thiazolo[4,3-b]pyridin-6-yl)aniline
SMILESCOc1cc(-c2cnc3c(N4CCOCC4)snc3c2)ccc1N
InChIInChI=1S/C17H18N4O2S/c1-22-15-9-11(2-3-13(15)18)12-8-14-16(19-10-12)17(24-20-14)21-4-6-23-7-5-21/h2-3,8-10H,4-7,18H2,1H3
InChIKeyAAUCXXCMBFZYRT-UHFFFAOYSA-N
XLogP2.79
TPSA73.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.79
H-Bond Donors ≤ 51
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 2-methoxy-4-(3-morpholin-4-yl-[1,2]thiazolo[4,3-b]pyridin-6-yl)aniline?
The IUPAC name of 2-methoxy-4-(3-morpholin-4-yl-[1,2]thiazolo[4,3-b]pyridin-6-yl)aniline (CID 90467922) is 2-methoxy-4-(3-morpholin-4-yl-[1,2]thiazolo[4,3-b]pyridin-6-yl)aniline.
What is the SMILES notation for 2-methoxy-4-(3-morpholin-4-yl-[1,2]thiazolo[4,3-b]pyridin-6-yl)aniline?
The canonical SMILES for 2-methoxy-4-(3-morpholin-4-yl-[1,2]thiazolo[4,3-b]pyridin-6-yl)aniline is COc1cc(-c2cnc3c(N4CCOCC4)snc3c2)ccc1N.
What is the InChIKey of 2-methoxy-4-(3-morpholin-4-yl-[1,2]thiazolo[4,3-b]pyridin-6-yl)aniline?
The InChIKey is AAUCXXCMBFZYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-22-15-9-11(2-3-13(15)18)12-8-14-16(19-10-12)17(24-20-14)21-4-6-23-7-5-21/h2-3,8-10H,4-7,18H2,1H3.
What are the key properties of 2-methoxy-4-(3-morpholin-4-yl-[1,2]thiazolo[4,3-b]pyridin-6-yl)aniline?
2-methoxy-4-(3-morpholin-4-yl-[1,2]thiazolo[4,3-b]pyridin-6-yl)aniline has a molecular weight of 342.42 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(3-morpholin-4-yl-[1,2]thiazolo[4,3-b]pyridin-6-yl)aniline is sourced from PubChem (CID 90467922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).