2-(2,3-dimethoxyphenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine

C14H16N2O2S — CID 62548090

IUPAC2-(2,3-dimethoxyphenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
SMILESCOc1cccc(-c2nc3c(s2)CNCC3)c1OC
InChIInChI=1S/C14H16N2O2S/c1-17-11-5-3-4-9(13(11)18-2)14-16-10-6-7-15-8-12(10)19-14/h3-5,15H,6-8H2,1-2H3
InChIKeyFWGKCWGDJYWGIR-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.47
Rot. Bonds3

About 2-(2,3-dimethoxyphenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine

2-(2,3-dimethoxyphenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine (PubChem CID 62548090) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 2-(2,3-dimethoxyphenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine.

Molecular Properties

Compound Name2-(2,3-dimethoxyphenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
PubChem CID62548090
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name2-(2,3-dimethoxyphenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
SMILESCOc1cccc(-c2nc3c(s2)CNCC3)c1OC
InChIInChI=1S/C14H16N2O2S/c1-17-11-5-3-4-9(13(11)18-2)14-16-10-6-7-15-8-12(10)19-14/h3-5,15H,6-8H2,1-2H3
InChIKeyFWGKCWGDJYWGIR-UHFFFAOYSA-N
XLogP2.47
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethoxyphenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The IUPAC name of 2-(2,3-dimethoxyphenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine (CID 62548090) is 2-(2,3-dimethoxyphenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine.
What is the SMILES notation for 2-(2,3-dimethoxyphenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The canonical SMILES for 2-(2,3-dimethoxyphenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine is COc1cccc(-c2nc3c(s2)CNCC3)c1OC.
What is the InChIKey of 2-(2,3-dimethoxyphenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The InChIKey is FWGKCWGDJYWGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-17-11-5-3-4-9(13(11)18-2)14-16-10-6-7-15-8-12(10)19-14/h3-5,15H,6-8H2,1-2H3.
What are the key properties of 2-(2,3-dimethoxyphenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
2-(2,3-dimethoxyphenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine has a molecular weight of 276.36 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethoxyphenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine is sourced from PubChem (CID 62548090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).