6-(3,4-dimethoxyphenyl)-3-piperidin-1-yl-[1,2]thiazolo[4,3-b]pyridine

C19H21N3O2S — CID 90468065

IUPAC6-(3,4-dimethoxyphenyl)-3-piperidin-1-yl-[1,2]thiazolo[4,3-b]pyridine
SMILESCOc1ccc(-c2cnc3c(N4CCCCC4)snc3c2)cc1OC
InChIInChI=1S/C19H21N3O2S/c1-23-16-7-6-13(11-17(16)24-2)14-10-15-18(20-12-14)19(25-21-15)22-8-4-3-5-9-22/h6-7,10-12H,3-5,8-9H2,1-2H3
InChIKeyBUMJEORQZSPLCL-UHFFFAOYSA-N
MW355.46 g/mol
LogP4.37
Rot. Bonds4

About 6-(3,4-dimethoxyphenyl)-3-piperidin-1-yl-[1,2]thiazolo[4,3-b]pyridine

6-(3,4-dimethoxyphenyl)-3-piperidin-1-yl-[1,2]thiazolo[4,3-b]pyridine (PubChem CID 90468065) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is 6-(3,4-dimethoxyphenyl)-3-piperidin-1-yl-[1,2]thiazolo[4,3-b]pyridine.

Molecular Properties

Compound Name6-(3,4-dimethoxyphenyl)-3-piperidin-1-yl-[1,2]thiazolo[4,3-b]pyridine
PubChem CID90468065
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name6-(3,4-dimethoxyphenyl)-3-piperidin-1-yl-[1,2]thiazolo[4,3-b]pyridine
SMILESCOc1ccc(-c2cnc3c(N4CCCCC4)snc3c2)cc1OC
InChIInChI=1S/C19H21N3O2S/c1-23-16-7-6-13(11-17(16)24-2)14-10-15-18(20-12-14)19(25-21-15)22-8-4-3-5-9-22/h6-7,10-12H,3-5,8-9H2,1-2H3
InChIKeyBUMJEORQZSPLCL-UHFFFAOYSA-N
XLogP4.37
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethoxyphenyl)-3-piperidin-1-yl-[1,2]thiazolo[4,3-b]pyridine?
The IUPAC name of 6-(3,4-dimethoxyphenyl)-3-piperidin-1-yl-[1,2]thiazolo[4,3-b]pyridine (CID 90468065) is 6-(3,4-dimethoxyphenyl)-3-piperidin-1-yl-[1,2]thiazolo[4,3-b]pyridine.
What is the SMILES notation for 6-(3,4-dimethoxyphenyl)-3-piperidin-1-yl-[1,2]thiazolo[4,3-b]pyridine?
The canonical SMILES for 6-(3,4-dimethoxyphenyl)-3-piperidin-1-yl-[1,2]thiazolo[4,3-b]pyridine is COc1ccc(-c2cnc3c(N4CCCCC4)snc3c2)cc1OC.
What is the InChIKey of 6-(3,4-dimethoxyphenyl)-3-piperidin-1-yl-[1,2]thiazolo[4,3-b]pyridine?
The InChIKey is BUMJEORQZSPLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-23-16-7-6-13(11-17(16)24-2)14-10-15-18(20-12-14)19(25-21-15)22-8-4-3-5-9-22/h6-7,10-12H,3-5,8-9H2,1-2H3.
What are the key properties of 6-(3,4-dimethoxyphenyl)-3-piperidin-1-yl-[1,2]thiazolo[4,3-b]pyridine?
6-(3,4-dimethoxyphenyl)-3-piperidin-1-yl-[1,2]thiazolo[4,3-b]pyridine has a molecular weight of 355.46 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethoxyphenyl)-3-piperidin-1-yl-[1,2]thiazolo[4,3-b]pyridine is sourced from PubChem (CID 90468065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).