2-[[6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]-(2-hydroxyethyl)amino]ethanol

C18H21N3O4S — CID 90466045

IUPAC2-[[6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]-(2-hydroxyethyl)amino]ethanol
SMILESCOc1ccc(-c2cnc3c(N(CCO)CCO)snc3c2)cc1OC
InChIInChI=1S/C18H21N3O4S/c1-24-15-4-3-12(10-16(15)25-2)13-9-14-17(19-11-13)18(26-20-14)21(5-7-22)6-8-23/h3-4,9-11,22-23H,5-8H2,1-2H3
InChIKeyNVFCJCPRTFEMPK-UHFFFAOYSA-N
MW375.45 g/mol
LogP2.17
Rot. Bonds8

About 2-[[6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]-(2-hydroxyethyl)amino]ethanol

2-[[6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]-(2-hydroxyethyl)amino]ethanol (PubChem CID 90466045) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is 2-[[6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]-(2-hydroxyethyl)amino]ethanol
PubChem CID90466045
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC Name2-[[6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]-(2-hydroxyethyl)amino]ethanol
SMILESCOc1ccc(-c2cnc3c(N(CCO)CCO)snc3c2)cc1OC
InChIInChI=1S/C18H21N3O4S/c1-24-15-4-3-12(10-16(15)25-2)13-9-14-17(19-11-13)18(26-20-14)21(5-7-22)6-8-23/h3-4,9-11,22-23H,5-8H2,1-2H3
InChIKeyNVFCJCPRTFEMPK-UHFFFAOYSA-N
XLogP2.17
TPSA87.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[[6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]-(2-hydroxyethyl)amino]ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[[6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]-(2-hydroxyethyl)amino]ethanol (CID 90466045) is 2-[[6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[[6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[[6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]-(2-hydroxyethyl)amino]ethanol is COc1ccc(-c2cnc3c(N(CCO)CCO)snc3c2)cc1OC.
What is the InChIKey of 2-[[6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]-(2-hydroxyethyl)amino]ethanol?
The InChIKey is NVFCJCPRTFEMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S/c1-24-15-4-3-12(10-16(15)25-2)13-9-14-17(19-11-13)18(26-20-14)21(5-7-22)6-8-23/h3-4,9-11,22-23H,5-8H2,1-2H3.
What are the key properties of 2-[[6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]-(2-hydroxyethyl)amino]ethanol?
2-[[6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]-(2-hydroxyethyl)amino]ethanol has a molecular weight of 375.45 g/mol, XLogP of 2.17, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 90466045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).