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

C17H22N2OS — CID 82154607

IUPAC2-[2-(3-propan-2-ylphenoxy)ethyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
SMILESCC(C)c1cccc(OCCc2nc3c(s2)CNCC3)c1
InChIInChI=1S/C17H22N2OS/c1-12(2)13-4-3-5-14(10-13)20-9-7-17-19-15-6-8-18-11-16(15)21-17/h3-5,10,12,18H,6-9,11H2,1-2H3
InChIKeyPVFZAEWCHYSIAZ-UHFFFAOYSA-N
MW302.44 g/mol
LogP3.53
Rot. Bonds5

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

2-[2-(3-propan-2-ylphenoxy)ethyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine (PubChem CID 82154607) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is 2-[2-(3-propan-2-ylphenoxy)ethyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine.

Molecular Properties

Compound Name2-[2-(3-propan-2-ylphenoxy)ethyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
PubChem CID82154607
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name2-[2-(3-propan-2-ylphenoxy)ethyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
SMILESCC(C)c1cccc(OCCc2nc3c(s2)CNCC3)c1
InChIInChI=1S/C17H22N2OS/c1-12(2)13-4-3-5-14(10-13)20-9-7-17-19-15-6-8-18-11-16(15)21-17/h3-5,10,12,18H,6-9,11H2,1-2H3
InChIKeyPVFZAEWCHYSIAZ-UHFFFAOYSA-N
XLogP3.53
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

2-[2-(2,5-dimethylphenoxy)ethyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
CID 82154594
4-methyl-2-[2-(3-propan-2-ylphenoxy)ethyl]-1,3-thiazole-5-carboxylic acid
CID 82154153
[2-[2-(3-propan-2-ylphenoxy)ethyl]-1,3-thiazol-4-yl]methanamine
CID 82104681
[2-[2-(3-propan-2-ylphenoxy)ethyl]-1,3-thiazol-4-yl]methanethiol
CID 82516432
1-propan-2-yl-3-[3-(3-propan-2-ylphenoxy)propoxy]benzene
CID 2426201
2-[2-[2-(3-propan-2-ylphenoxy)ethyl]-1,3-thiazol-4-yl]propan-2-amine
CID 82516430
2-(2-methylpropyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
CID 62549795
2-[2-(3-propan-2-ylphenoxy)ethyl]-1,3-thiazole-5-carbohydrazide
CID 82423883
2-[(5-ethyl-2-methoxyphenyl)methyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
CID 82154625
2-(3-propan-2-ylphenoxy)ethanethiol
CID 21131503
2-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
CID 79964343
ethane;2-(3-propan-2-ylphenoxy)ethanethiol
CID 144874001

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-propan-2-ylphenoxy)ethyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The IUPAC name of 2-[2-(3-propan-2-ylphenoxy)ethyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine (CID 82154607) is 2-[2-(3-propan-2-ylphenoxy)ethyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine.
What is the SMILES notation for 2-[2-(3-propan-2-ylphenoxy)ethyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The canonical SMILES for 2-[2-(3-propan-2-ylphenoxy)ethyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine is CC(C)c1cccc(OCCc2nc3c(s2)CNCC3)c1.
What is the InChIKey of 2-[2-(3-propan-2-ylphenoxy)ethyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The InChIKey is PVFZAEWCHYSIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-12(2)13-4-3-5-14(10-13)20-9-7-17-19-15-6-8-18-11-16(15)21-17/h3-5,10,12,18H,6-9,11H2,1-2H3.
What are the key properties of 2-[2-(3-propan-2-ylphenoxy)ethyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
2-[2-(3-propan-2-ylphenoxy)ethyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine has a molecular weight of 302.44 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-propan-2-ylphenoxy)ethyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine is sourced from PubChem (CID 82154607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).