4-[(4-pyridin-4-ylphenoxy)methyl]-1,3-thiazole

C15H12N2OS — CID 166360385

IUPAC4-[(4-pyridin-4-ylphenoxy)methyl]-1,3-thiazole
SMILESc1cc(-c2ccc(OCc3cscn3)cc2)ccn1
InChIInChI=1S/C15H12N2OS/c1-3-15(18-9-14-10-19-11-17-14)4-2-12(1)13-5-7-16-8-6-13/h1-8,10-11H,9H2
InChIKeySUZFFVYPCXHNGA-UHFFFAOYSA-N
MW268.34 g/mol
LogP3.78
Rot. Bonds4

About 4-[(4-pyridin-4-ylphenoxy)methyl]-1,3-thiazole

4-[(4-pyridin-4-ylphenoxy)methyl]-1,3-thiazole (PubChem CID 166360385) has the molecular formula C15H12N2OS and a molecular weight of 268.34 g/mol. Its IUPAC name is 4-[(4-pyridin-4-ylphenoxy)methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[(4-pyridin-4-ylphenoxy)methyl]-1,3-thiazole
PubChem CID166360385
Molecular FormulaC15H12N2OS
Molecular Weight268.34 g/mol
Exact Mass268.07
IUPAC Name4-[(4-pyridin-4-ylphenoxy)methyl]-1,3-thiazole
SMILESc1cc(-c2ccc(OCc3cscn3)cc2)ccn1
InChIInChI=1S/C15H12N2OS/c1-3-15(18-9-14-10-19-11-17-14)4-2-12(1)13-5-7-16-8-6-13/h1-8,10-11H,9H2
InChIKeySUZFFVYPCXHNGA-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

1-[4-(1,3-thiazol-4-ylmethoxy)phenyl]propan-1-ol
CID 43504474
4-[(6-bromonaphthalen-2-yl)oxymethyl]-1,3-thiazole
CID 54942438
1-[4-(1,3-thiazol-4-ylmethoxy)phenyl]butan-2-amine
CID 54930620
6-(4-pyridin-4-ylphenoxy)hexan-1-ol
CID 67931707
4-(1,3-thiazol-4-ylmethoxy)-N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]benzamide
CID 86878089
4-[2-(4-fluorophenoxy)ethyl]-1,3-thiazole
CID 142639749
benzyl 4-(1,3-thiazol-4-ylmethoxy)benzoate
CID 86907808
N,N-dipropyl-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 134022298
2-fluoro-4-(1,3-thiazol-4-ylmethoxy)benzonitrile
CID 78952690
[3-(1,3-thiazol-4-ylmethoxy)phenyl]methanol
CID 28782947
4-(1,3-thiazol-4-ylmethoxy)-N-(thiophen-2-ylmethyl)benzamide
CID 35008943
2-methyl-6-[[4-(2-pyridin-4-ylphenyl)phenoxy]methyl]pyridine
CID 67026641

Frequently Asked Questions

What is the IUPAC name of 4-[(4-pyridin-4-ylphenoxy)methyl]-1,3-thiazole?
The IUPAC name of 4-[(4-pyridin-4-ylphenoxy)methyl]-1,3-thiazole (CID 166360385) is 4-[(4-pyridin-4-ylphenoxy)methyl]-1,3-thiazole.
What is the SMILES notation for 4-[(4-pyridin-4-ylphenoxy)methyl]-1,3-thiazole?
The canonical SMILES for 4-[(4-pyridin-4-ylphenoxy)methyl]-1,3-thiazole is c1cc(-c2ccc(OCc3cscn3)cc2)ccn1.
What is the InChIKey of 4-[(4-pyridin-4-ylphenoxy)methyl]-1,3-thiazole?
The InChIKey is SUZFFVYPCXHNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2OS/c1-3-15(18-9-14-10-19-11-17-14)4-2-12(1)13-5-7-16-8-6-13/h1-8,10-11H,9H2.
What are the key properties of 4-[(4-pyridin-4-ylphenoxy)methyl]-1,3-thiazole?
4-[(4-pyridin-4-ylphenoxy)methyl]-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 4-[(4-pyridin-4-ylphenoxy)methyl]-1,3-thiazole is sourced from PubChem (CID 166360385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).