4-[[2-(1H-imidazol-5-yl)phenoxy]methyl]-1,3-thiazole

C13H11N3OS — CID 70925852

IUPAC4-[[2-(1H-imidazol-5-yl)phenoxy]methyl]-1,3-thiazole
SMILESc1ccc(-c2cnc[nH]2)c(OCc2cscn2)c1
InChIInChI=1S/C13H11N3OS/c1-2-4-13(17-6-10-7-18-9-16-10)11(3-1)12-5-14-8-15-12/h1-5,7-9H,6H2,(H,14,15)
InChIKeyYVKWLWBUVBPFRV-UHFFFAOYSA-N
MW257.32 g/mol
LogP3.11
Rot. Bonds4

About 4-[[2-(1H-imidazol-5-yl)phenoxy]methyl]-1,3-thiazole

4-[[2-(1H-imidazol-5-yl)phenoxy]methyl]-1,3-thiazole (PubChem CID 70925852) has the molecular formula C13H11N3OS and a molecular weight of 257.32 g/mol. Its IUPAC name is 4-[[2-(1H-imidazol-5-yl)phenoxy]methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[[2-(1H-imidazol-5-yl)phenoxy]methyl]-1,3-thiazole
PubChem CID70925852
Molecular FormulaC13H11N3OS
Molecular Weight257.32 g/mol
Exact Mass257.06
IUPAC Name4-[[2-(1H-imidazol-5-yl)phenoxy]methyl]-1,3-thiazole
SMILESc1ccc(-c2cnc[nH]2)c(OCc2cscn2)c1
InChIInChI=1S/C13H11N3OS/c1-2-4-13(17-6-10-7-18-9-16-10)11(3-1)12-5-14-8-15-12/h1-5,7-9H,6H2,(H,14,15)
InChIKeyYVKWLWBUVBPFRV-UHFFFAOYSA-N
XLogP3.11
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

S-[4-[[2-(1H-imidazol-5-yl)phenoxy]methyl]phenyl]thiohydroxylamine
CID 143884941
N-[[4-[[2-(1H-imidazol-5-yl)phenoxy]methyl]phenyl]methyl]acetamide
CID 58294111
5-[2-(1-benzofuran-5-ylmethoxy)phenyl]-1H-imidazole
CID 52935729
ethyl 4-[[2-(1H-imidazol-5-yl)phenoxy]methyl]benzoate
CID 67207597
N-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]pyrimidin-2-amine
CID 67222889
2-[3-[[2-(1H-imidazol-5-yl)phenoxy]methyl]phenyl]-N-methylacetamide
CID 58294229
(1S)-1-[2-(1,3-thiazol-4-ylmethoxy)phenyl]ethanol
CID 78931487
4-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazole
CID 64764025
4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]-N-methylaniline
CID 143884976
1-[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]-3-phenylpropane-2-thione
CID 159392368
[2-(1H-imidazol-5-yl)phenyl]methanamine
CID 21023616
5-[2-[2-[4-(benzylsulfonylmethyl)phenyl]ethoxy]phenyl]-1H-imidazole
CID 147036147

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(1H-imidazol-5-yl)phenoxy]methyl]-1,3-thiazole?
The IUPAC name of 4-[[2-(1H-imidazol-5-yl)phenoxy]methyl]-1,3-thiazole (CID 70925852) is 4-[[2-(1H-imidazol-5-yl)phenoxy]methyl]-1,3-thiazole.
What is the SMILES notation for 4-[[2-(1H-imidazol-5-yl)phenoxy]methyl]-1,3-thiazole?
The canonical SMILES for 4-[[2-(1H-imidazol-5-yl)phenoxy]methyl]-1,3-thiazole is c1ccc(-c2cnc[nH]2)c(OCc2cscn2)c1.
What is the InChIKey of 4-[[2-(1H-imidazol-5-yl)phenoxy]methyl]-1,3-thiazole?
The InChIKey is YVKWLWBUVBPFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3OS/c1-2-4-13(17-6-10-7-18-9-16-10)11(3-1)12-5-14-8-15-12/h1-5,7-9H,6H2,(H,14,15).
What are the key properties of 4-[[2-(1H-imidazol-5-yl)phenoxy]methyl]-1,3-thiazole?
4-[[2-(1H-imidazol-5-yl)phenoxy]methyl]-1,3-thiazole has a molecular weight of 257.32 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(1H-imidazol-5-yl)phenoxy]methyl]-1,3-thiazole is sourced from PubChem (CID 70925852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).