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

C16H20N2OS — CID 82154594

IUPAC2-[2-(2,5-dimethylphenoxy)ethyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
SMILESCc1ccc(C)c(OCCc2nc3c(s2)CNCC3)c1
InChIInChI=1S/C16H20N2OS/c1-11-3-4-12(2)14(9-11)19-8-6-16-18-13-5-7-17-10-15(13)20-16/h3-4,9,17H,5-8,10H2,1-2H3
InChIKeyUBOZWQSYLUQPHA-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.03
Rot. Bonds4

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

2-[2-(2,5-dimethylphenoxy)ethyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine (PubChem CID 82154594) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 2-[2-(2,5-dimethylphenoxy)ethyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine.

Molecular Properties

Compound Name2-[2-(2,5-dimethylphenoxy)ethyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
PubChem CID82154594
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name2-[2-(2,5-dimethylphenoxy)ethyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
SMILESCc1ccc(C)c(OCCc2nc3c(s2)CNCC3)c1
InChIInChI=1S/C16H20N2OS/c1-11-3-4-12(2)14(9-11)19-8-6-16-18-13-5-7-17-10-15(13)20-16/h3-4,9,17H,5-8,10H2,1-2H3
InChIKeyUBOZWQSYLUQPHA-UHFFFAOYSA-N
XLogP3.03
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-(2,5-dimethylphenoxy)ethyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine with MolForge

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Related Compounds

2-[3-(3,4-dimethylphenoxy)propyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
CID 82154582
2-(2,5-dimethylphenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
CID 62549460
2-[2-(3-propan-2-ylphenoxy)ethyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
CID 82154607
[2-[2-(2,5-dimethylphenoxy)ethyl]-4-propyl-1,3-thiazol-5-yl]methanol
CID 82432518
2-[(5-ethyl-2-methoxyphenyl)methyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
CID 82154625
2-(2-methylpropyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
CID 62549795
1-[2-[2-(2,5-dimethylphenoxy)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82191130
2-[2-(2,5-dimethylphenoxy)ethyl]-1,3-thiazole-4-carbonitrile
CID 82516401
2-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
CID 79964343
5-[2-(2,5-dimethylphenoxy)ethyl]-4-methyl-1,3-thiazole
CID 79502670
3-(2,5-dimethylphenoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
CID 7948520
2-methoxy-5-methyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 62505797

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,5-dimethylphenoxy)ethyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The IUPAC name of 2-[2-(2,5-dimethylphenoxy)ethyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine (CID 82154594) is 2-[2-(2,5-dimethylphenoxy)ethyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine.
What is the SMILES notation for 2-[2-(2,5-dimethylphenoxy)ethyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The canonical SMILES for 2-[2-(2,5-dimethylphenoxy)ethyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine is Cc1ccc(C)c(OCCc2nc3c(s2)CNCC3)c1.
What is the InChIKey of 2-[2-(2,5-dimethylphenoxy)ethyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The InChIKey is UBOZWQSYLUQPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-11-3-4-12(2)14(9-11)19-8-6-16-18-13-5-7-17-10-15(13)20-16/h3-4,9,17H,5-8,10H2,1-2H3.
What are the key properties of 2-[2-(2,5-dimethylphenoxy)ethyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
2-[2-(2,5-dimethylphenoxy)ethyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine has a molecular weight of 288.42 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,5-dimethylphenoxy)ethyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine is sourced from PubChem (CID 82154594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).