6-[(2,4-dimethoxyphenyl)methylsulfanyl]-[1,3]thiazolo[4,5-b]pyridine

C15H14N2O2S2 — CID 155462881

IUPAC6-[(2,4-dimethoxyphenyl)methylsulfanyl]-[1,3]thiazolo[4,5-b]pyridine
SMILESCOc1ccc(CSc2cnc3ncsc3c2)c(OC)c1
InChIInChI=1S/C15H14N2O2S2/c1-18-11-4-3-10(13(5-11)19-2)8-20-12-6-14-15(16-7-12)17-9-21-14/h3-7,9H,8H2,1-2H3
InChIKeyXWDGYXZBXUMCDJ-UHFFFAOYSA-N
MW318.42 g/mol
LogP4.00
Rot. Bonds5

About 6-[(2,4-dimethoxyphenyl)methylsulfanyl]-[1,3]thiazolo[4,5-b]pyridine

6-[(2,4-dimethoxyphenyl)methylsulfanyl]-[1,3]thiazolo[4,5-b]pyridine (PubChem CID 155462881) has the molecular formula C15H14N2O2S2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 6-[(2,4-dimethoxyphenyl)methylsulfanyl]-[1,3]thiazolo[4,5-b]pyridine.

Molecular Properties

Compound Name6-[(2,4-dimethoxyphenyl)methylsulfanyl]-[1,3]thiazolo[4,5-b]pyridine
PubChem CID155462881
Molecular FormulaC15H14N2O2S2
Molecular Weight318.42 g/mol
Exact Mass318.05
IUPAC Name6-[(2,4-dimethoxyphenyl)methylsulfanyl]-[1,3]thiazolo[4,5-b]pyridine
SMILESCOc1ccc(CSc2cnc3ncsc3c2)c(OC)c1
InChIInChI=1S/C15H14N2O2S2/c1-18-11-4-3-10(13(5-11)19-2)8-20-12-6-14-15(16-7-12)17-9-21-14/h3-7,9H,8H2,1-2H3
InChIKeyXWDGYXZBXUMCDJ-UHFFFAOYSA-N
XLogP4.00
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2,4-dimethoxyphenyl)-4-(thiophen-3-yl)-1H-pyrrolo[2,3-b]pyridine
CID 74766530
N-[(2-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 2443590
2-[4-(Piperidin-1-ylmethyl)phenoxy]-[1,3]thiazolo[4,5-b]pyridine
CID 44481856
6-Fluoro-2-[4-(piperidin-1-ylmethyl)phenoxy]-[1,3]thiazolo[4,5-b]pyridine
CID 57448289
2-[4-(2-Piperidin-1-ylethyl)phenoxy]-[1,3]thiazolo[4,5-b]pyridine
CID 57448356
6-(2,4-dimethoxyphenyl)-N-[(1R)-1-phenylethyl]thieno[2,3-d]pyrimidin-4-amine
CID 117803130
6-(2,6-dimethoxyphenyl)-N-[(1R)-1-phenylethyl]thieno[2,3-d]pyrimidin-4-amine
CID 117803134
N-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 4788898
N-cyclopropyl-N-[(2,4-dimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 34001531
2-[4-[(4-Fluoropiperidin-1-yl)methyl]phenoxy]-[1,3]thiazolo[4,5-b]pyridine
CID 57448360
2-[4-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]phenoxy]-[1,3]thiazolo[4,5-b]pyridine
CID 57464042
2-Methylsulfanyl-7-[3-(trifluoromethoxy)phenoxy]-[1,3]thiazolo[4,5-b]pyridine-6-carbonitrile
CID 58612240

Frequently Asked Questions

What is the IUPAC name of 6-[(2,4-dimethoxyphenyl)methylsulfanyl]-[1,3]thiazolo[4,5-b]pyridine?
The IUPAC name of 6-[(2,4-dimethoxyphenyl)methylsulfanyl]-[1,3]thiazolo[4,5-b]pyridine (CID 155462881) is 6-[(2,4-dimethoxyphenyl)methylsulfanyl]-[1,3]thiazolo[4,5-b]pyridine.
What is the SMILES notation for 6-[(2,4-dimethoxyphenyl)methylsulfanyl]-[1,3]thiazolo[4,5-b]pyridine?
The canonical SMILES for 6-[(2,4-dimethoxyphenyl)methylsulfanyl]-[1,3]thiazolo[4,5-b]pyridine is COc1ccc(CSc2cnc3ncsc3c2)c(OC)c1.
What is the InChIKey of 6-[(2,4-dimethoxyphenyl)methylsulfanyl]-[1,3]thiazolo[4,5-b]pyridine?
The InChIKey is XWDGYXZBXUMCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S2/c1-18-11-4-3-10(13(5-11)19-2)8-20-12-6-14-15(16-7-12)17-9-21-14/h3-7,9H,8H2,1-2H3.
What are the key properties of 6-[(2,4-dimethoxyphenyl)methylsulfanyl]-[1,3]thiazolo[4,5-b]pyridine?
6-[(2,4-dimethoxyphenyl)methylsulfanyl]-[1,3]thiazolo[4,5-b]pyridine has a molecular weight of 318.42 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,4-dimethoxyphenyl)methylsulfanyl]-[1,3]thiazolo[4,5-b]pyridine is sourced from PubChem (CID 155462881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).