2-[2-(pyridin-3-ylmethoxy)phenyl]-1,3-thiazole

C15H12N2OS — CID 99839545

IUPAC2-[2-(pyridin-3-ylmethoxy)phenyl]-1,3-thiazole
SMILESc1cncc(COc2ccccc2-c2nccs2)c1
InChIInChI=1S/C15H12N2OS/c1-2-6-14(13(5-1)15-17-8-9-19-15)18-11-12-4-3-7-16-10-12/h1-10H,11H2
InChIKeyFJLRNRUHNPRHMN-UHFFFAOYSA-N
MW268.34 g/mol
LogP3.78
Rot. Bonds4

About 2-[2-(pyridin-3-ylmethoxy)phenyl]-1,3-thiazole

2-[2-(pyridin-3-ylmethoxy)phenyl]-1,3-thiazole (PubChem CID 99839545) has the molecular formula C15H12N2OS and a molecular weight of 268.34 g/mol. Its IUPAC name is 2-[2-(pyridin-3-ylmethoxy)phenyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[2-(pyridin-3-ylmethoxy)phenyl]-1,3-thiazole
PubChem CID99839545
Molecular FormulaC15H12N2OS
Molecular Weight268.34 g/mol
Exact Mass268.07
IUPAC Name2-[2-(pyridin-3-ylmethoxy)phenyl]-1,3-thiazole
SMILESc1cncc(COc2ccccc2-c2nccs2)c1
InChIInChI=1S/C15H12N2OS/c1-2-6-14(13(5-1)15-17-8-9-19-15)18-11-12-4-3-7-16-10-12/h1-10H,11H2
InChIKeyFJLRNRUHNPRHMN-UHFFFAOYSA-N
XLogP3.78
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 102197893
3-[(2-benzylphenoxy)methyl]pyridine
CID 112814185
[2-(pyridin-3-ylmethoxy)phenyl]boronic acid
CID 43145276
2-(pyridin-3-ylmethoxy)benzaldehyde
CID 6485567
3-(phenoxymethyl)pyridine;hydrochloride
CID 157085776
3-[[4-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 91147542
4-fluoro-2-(pyridin-3-ylmethoxy)aniline
CID 16773987
2-[3,4-bis(phenylmethoxy)phenyl]-1,3-thiazole
CID 25131159
4-(pyridin-3-ylmethoxy)benzene-1,3-diamine
CID 89082993
2-(2-pyridin-3-ylethyl)-1,3-thiazole
CID 141425533
(NE)-N-[1-[2-(pyridin-3-ylmethoxy)phenyl]ethylidene]hydroxylamine
CID 24711436
1-[2-(pyridin-3-ylmethoxy)phenyl]propan-1-amine
CID 16782190

Frequently Asked Questions

What is the IUPAC name of 2-[2-(pyridin-3-ylmethoxy)phenyl]-1,3-thiazole?
The IUPAC name of 2-[2-(pyridin-3-ylmethoxy)phenyl]-1,3-thiazole (CID 99839545) is 2-[2-(pyridin-3-ylmethoxy)phenyl]-1,3-thiazole.
What is the SMILES notation for 2-[2-(pyridin-3-ylmethoxy)phenyl]-1,3-thiazole?
The canonical SMILES for 2-[2-(pyridin-3-ylmethoxy)phenyl]-1,3-thiazole is c1cncc(COc2ccccc2-c2nccs2)c1.
What is the InChIKey of 2-[2-(pyridin-3-ylmethoxy)phenyl]-1,3-thiazole?
The InChIKey is FJLRNRUHNPRHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2OS/c1-2-6-14(13(5-1)15-17-8-9-19-15)18-11-12-4-3-7-16-10-12/h1-10H,11H2.
What are the key properties of 2-[2-(pyridin-3-ylmethoxy)phenyl]-1,3-thiazole?
2-[2-(pyridin-3-ylmethoxy)phenyl]-1,3-thiazole has a molecular weight of 268.34 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(pyridin-3-ylmethoxy)phenyl]-1,3-thiazole is sourced from PubChem (CID 99839545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).