6-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)-[1,2]thiazolo[4,3-b]pyridin-3-amine

C17H19N3O3S — CID 90466190

IUPAC6-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)-[1,2]thiazolo[4,3-b]pyridin-3-amine
SMILESCOCCNc1snc2cc(-c3ccc(OC)c(OC)c3)cnc12
InChIInChI=1S/C17H19N3O3S/c1-21-7-6-18-17-16-13(20-24-17)8-12(10-19-16)11-4-5-14(22-2)15(9-11)23-3/h4-5,8-10,18H,6-7H2,1-3H3
InChIKeyGRIGAUNBWMSASJ-UHFFFAOYSA-N
MW345.42 g/mol
LogP3.43
Rot. Bonds7

About 6-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)-[1,2]thiazolo[4,3-b]pyridin-3-amine

6-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)-[1,2]thiazolo[4,3-b]pyridin-3-amine (PubChem CID 90466190) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is 6-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)-[1,2]thiazolo[4,3-b]pyridin-3-amine.

Molecular Properties

Compound Name6-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)-[1,2]thiazolo[4,3-b]pyridin-3-amine
PubChem CID90466190
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC Name6-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)-[1,2]thiazolo[4,3-b]pyridin-3-amine
SMILESCOCCNc1snc2cc(-c3ccc(OC)c(OC)c3)cnc12
InChIInChI=1S/C17H19N3O3S/c1-21-7-6-18-17-16-13(20-24-17)8-12(10-19-16)11-4-5-14(22-2)15(9-11)23-3/h4-5,8-10,18H,6-7H2,1-3H3
InChIKeyGRIGAUNBWMSASJ-UHFFFAOYSA-N
XLogP3.43
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)pyrimidin-2-amine
CID 163343919
5-(3,4-dimethoxyphenyl)-N-ethylpyrimidin-2-amine
CID 116977083
2-[4-(3,4-dimethoxyphenyl)pyrazol-1-yl]-N-(2-methoxyethyl)-2-methylpropanamide
CID 71728692
[2-methoxy-4-(3-morpholin-4-yl-[1,2]thiazolo[4,3-b]pyridin-6-yl)phenyl] acetate
CID 90467920
2-chloro-5-(3,4-dimethoxyphenyl)pyridin-3-amine
CID 42281401
4-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)-2,3-dihydrofuro[2,3-c]pyridin-7-amine
CID 134811148
5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 10149230
4-(3-bromo-4-methoxyphenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine
CID 8962099
1-(3,4-dimethoxyphenyl)-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
CID 7965296
4-methoxy-N-(2-methoxyethyl)-7-methyl-1,3-benzothiazol-2-amine
CID 82549536
N-ethyl-5-(3-fluoro-4-methoxyphenyl)pyrimidin-2-amine
CID 116977086
5-(3,4-dimethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)pyridine
CID 90670581

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)-[1,2]thiazolo[4,3-b]pyridin-3-amine?
The IUPAC name of 6-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)-[1,2]thiazolo[4,3-b]pyridin-3-amine (CID 90466190) is 6-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)-[1,2]thiazolo[4,3-b]pyridin-3-amine.
What is the SMILES notation for 6-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)-[1,2]thiazolo[4,3-b]pyridin-3-amine?
The canonical SMILES for 6-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)-[1,2]thiazolo[4,3-b]pyridin-3-amine is COCCNc1snc2cc(-c3ccc(OC)c(OC)c3)cnc12.
What is the InChIKey of 6-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)-[1,2]thiazolo[4,3-b]pyridin-3-amine?
The InChIKey is GRIGAUNBWMSASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-21-7-6-18-17-16-13(20-24-17)8-12(10-19-16)11-4-5-14(22-2)15(9-11)23-3/h4-5,8-10,18H,6-7H2,1-3H3.
What are the key properties of 6-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)-[1,2]thiazolo[4,3-b]pyridin-3-amine?
6-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)-[1,2]thiazolo[4,3-b]pyridin-3-amine has a molecular weight of 345.42 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)-[1,2]thiazolo[4,3-b]pyridin-3-amine is sourced from PubChem (CID 90466190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).