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

C19H21N3O3S — CID 90465894

IUPAC1-[6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]piperidin-4-ol
SMILESCOc1ccc(-c2cnc3c(N4CCC(O)CC4)snc3c2)cc1OC
InChIInChI=1S/C19H21N3O3S/c1-24-16-4-3-12(10-17(16)25-2)13-9-15-18(20-11-13)19(26-21-15)22-7-5-14(23)6-8-22/h3-4,9-11,14,23H,5-8H2,1-2H3
InChIKeyUFGTUILXKNLKIE-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.34
Rot. Bonds4

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

1-[6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]piperidin-4-ol (PubChem CID 90465894) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is 1-[6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]piperidin-4-ol
PubChem CID90465894
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC Name1-[6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]piperidin-4-ol
SMILESCOc1ccc(-c2cnc3c(N4CCC(O)CC4)snc3c2)cc1OC
InChIInChI=1S/C19H21N3O3S/c1-24-16-4-3-12(10-17(16)25-2)13-9-15-18(20-11-13)19(26-21-15)22-7-5-14(23)6-8-22/h3-4,9-11,14,23H,5-8H2,1-2H3
InChIKeyUFGTUILXKNLKIE-UHFFFAOYSA-N
XLogP3.34
TPSA67.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]piperidin-4-ol?
The IUPAC name of 1-[6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]piperidin-4-ol (CID 90465894) is 1-[6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]piperidin-4-ol.
What is the SMILES notation for 1-[6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]piperidin-4-ol?
The canonical SMILES for 1-[6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]piperidin-4-ol is COc1ccc(-c2cnc3c(N4CCC(O)CC4)snc3c2)cc1OC.
What is the InChIKey of 1-[6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]piperidin-4-ol?
The InChIKey is UFGTUILXKNLKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-24-16-4-3-12(10-17(16)25-2)13-9-15-18(20-11-13)19(26-21-15)22-7-5-14(23)6-8-22/h3-4,9-11,14,23H,5-8H2,1-2H3.
What are the key properties of 1-[6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]piperidin-4-ol?
1-[6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]piperidin-4-ol has a molecular weight of 371.46 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]piperidin-4-ol is sourced from PubChem (CID 90465894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).