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

C19H19N3O4S — CID 90467920

IUPAC[2-methoxy-4-(3-morpholin-4-yl-[1,2]thiazolo[4,3-b]pyridin-6-yl)phenyl] acetate
SMILESCOc1cc(-c2cnc3c(N4CCOCC4)snc3c2)ccc1OC(C)=O
InChIInChI=1S/C19H19N3O4S/c1-12(23)26-16-4-3-13(10-17(16)24-2)14-9-15-18(20-11-14)19(27-21-15)22-5-7-25-8-6-22/h3-4,9-11H,5-8H2,1-2H3
InChIKeyRCQXJORNFIJQQR-UHFFFAOYSA-N
MW385.45 g/mol
LogP3.13
Rot. Bonds4

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

[2-methoxy-4-(3-morpholin-4-yl-[1,2]thiazolo[4,3-b]pyridin-6-yl)phenyl] acetate (PubChem CID 90467920) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is [2-methoxy-4-(3-morpholin-4-yl-[1,2]thiazolo[4,3-b]pyridin-6-yl)phenyl] acetate.

Molecular Properties

Compound Name[2-methoxy-4-(3-morpholin-4-yl-[1,2]thiazolo[4,3-b]pyridin-6-yl)phenyl] acetate
PubChem CID90467920
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC Name[2-methoxy-4-(3-morpholin-4-yl-[1,2]thiazolo[4,3-b]pyridin-6-yl)phenyl] acetate
SMILESCOc1cc(-c2cnc3c(N4CCOCC4)snc3c2)ccc1OC(C)=O
InChIInChI=1S/C19H19N3O4S/c1-12(23)26-16-4-3-13(10-17(16)24-2)14-9-15-18(20-11-14)19(27-21-15)22-5-7-25-8-6-22/h3-4,9-11H,5-8H2,1-2H3
InChIKeyRCQXJORNFIJQQR-UHFFFAOYSA-N
XLogP3.13
TPSA73.78 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-[6-(4-amino-3-methoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]piperidin-3-yl]methyl]pyrrolidine-1-carboxamide
CID 162666662
N-[[1-[6-(4-amino-3-methoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]piperidin-3-yl]methyl]cyclopropanecarboxamide
CID 162677047
6-(3,4-dimethoxyphenyl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-amine
CID 11996073
6-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)-[1,2]thiazolo[4,3-b]pyridin-3-amine
CID 90466190
1-[5-(3,4-dimethoxyphenyl)-3-(4-morpholin-4-ylphenyl)-3,4-dihydropyrazol-2-yl]ethanone
CID 168719887
(3,4-dimethoxyphenyl)-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)methanone
CID 4600615
2-hydroxy-3-methoxy-5-(6-morpholin-4-yl-3-pyridinyl)benzaldehyde
CID 59599778
5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2-methoxybenzamide
CID 118728549
[3-amino-6-(3,4-dimethoxyphenyl)-2-pyridinyl]-morpholin-4-ylmethanone
CID 110171984
[2-methoxy-4-(morpholine-4-carbothioyl)phenyl] benzoate
CID 1102766
N-[4-[[4-[7-(2-methoxypyrimidin-5-yl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]phenyl]acetamide
CID 67516188
2-[5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-1-morpholin-4-ylethanone
CID 8891685

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)phenyl] acetate?
The IUPAC name of [2-methoxy-4-(3-morpholin-4-yl-[1,2]thiazolo[4,3-b]pyridin-6-yl)phenyl] acetate (CID 90467920) is [2-methoxy-4-(3-morpholin-4-yl-[1,2]thiazolo[4,3-b]pyridin-6-yl)phenyl] acetate.
What is the SMILES notation for [2-methoxy-4-(3-morpholin-4-yl-[1,2]thiazolo[4,3-b]pyridin-6-yl)phenyl] acetate?
The canonical SMILES for [2-methoxy-4-(3-morpholin-4-yl-[1,2]thiazolo[4,3-b]pyridin-6-yl)phenyl] acetate is COc1cc(-c2cnc3c(N4CCOCC4)snc3c2)ccc1OC(C)=O.
What is the InChIKey of [2-methoxy-4-(3-morpholin-4-yl-[1,2]thiazolo[4,3-b]pyridin-6-yl)phenyl] acetate?
The InChIKey is RCQXJORNFIJQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-12(23)26-16-4-3-13(10-17(16)24-2)14-9-15-18(20-11-14)19(27-21-15)22-5-7-25-8-6-22/h3-4,9-11H,5-8H2,1-2H3.
What are the key properties of [2-methoxy-4-(3-morpholin-4-yl-[1,2]thiazolo[4,3-b]pyridin-6-yl)phenyl] acetate?
[2-methoxy-4-(3-morpholin-4-yl-[1,2]thiazolo[4,3-b]pyridin-6-yl)phenyl] acetate has a molecular weight of 385.45 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 8 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)phenyl] acetate is sourced from PubChem (CID 90467920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).