2-[(4-methylphenoxy)methyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-b]pyridine

C14H16N2OS — CID 82090230

IUPAC2-[(4-methylphenoxy)methyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-b]pyridine
SMILESCc1ccc(OCc2nc3c(s2)CCCN3)cc1
InChIInChI=1S/C14H16N2OS/c1-10-4-6-11(7-5-10)17-9-13-16-14-12(18-13)3-2-8-15-14/h4-7,15H,2-3,8-9H2,1H3
InChIKeyOIRFVXHCUPHTDE-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.39
Rot. Bonds3

About 2-[(4-methylphenoxy)methyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-b]pyridine

2-[(4-methylphenoxy)methyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-b]pyridine (PubChem CID 82090230) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 2-[(4-methylphenoxy)methyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[(4-methylphenoxy)methyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-b]pyridine
PubChem CID82090230
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name2-[(4-methylphenoxy)methyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-b]pyridine
SMILESCc1ccc(OCc2nc3c(s2)CCCN3)cc1
InChIInChI=1S/C14H16N2OS/c1-10-4-6-11(7-5-10)17-9-13-16-14-12(18-13)3-2-8-15-14/h4-7,15H,2-3,8-9H2,1H3
InChIKeyOIRFVXHCUPHTDE-UHFFFAOYSA-N
XLogP3.39
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methoxyphenoxy)methyl]-5,6-dihydro-4H-pyrrolo[2,3-d][1,3]thiazole
CID 82090815
[4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanethiol
CID 82426004
4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole
CID 78998169
1-[4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazol-5-yl]ethanamine
CID 20982818
N-[[2-[(4-methylphenoxy)methyl]-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 82431840
[4-cyclopropyl-2-[(4-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanamine
CID 82436466
2-chloro-5-[(4-methylphenoxy)methyl]-1,3,4-thiadiazole
CID 80611604
2-[(4-methylphenoxy)methyl]-4-propyl-1,3-thiazole-5-carbohydrazide
CID 82431851
[4-(methoxymethyl)-2-[(4-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanethiol
CID 82440431
1-[4-ethyl-2-[(4-methylphenoxy)methyl]-1,3-thiazol-5-yl]ethanone
CID 82428850
4-ethyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide
CID 82428854
2-[(4-methylphenoxy)methyl]-4-pyridin-4-yl-1,3-thiazole
CID 166360122

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenoxy)methyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-b]pyridine?
The IUPAC name of 2-[(4-methylphenoxy)methyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-b]pyridine (CID 82090230) is 2-[(4-methylphenoxy)methyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-b]pyridine.
What is the SMILES notation for 2-[(4-methylphenoxy)methyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-b]pyridine?
The canonical SMILES for 2-[(4-methylphenoxy)methyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-b]pyridine is Cc1ccc(OCc2nc3c(s2)CCCN3)cc1.
What is the InChIKey of 2-[(4-methylphenoxy)methyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-b]pyridine?
The InChIKey is OIRFVXHCUPHTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-10-4-6-11(7-5-10)17-9-13-16-14-12(18-13)3-2-8-15-14/h4-7,15H,2-3,8-9H2,1H3.
What are the key properties of 2-[(4-methylphenoxy)methyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-b]pyridine?
2-[(4-methylphenoxy)methyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-b]pyridine has a molecular weight of 260.36 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenoxy)methyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-b]pyridine is sourced from PubChem (CID 82090230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).