2,5-bis(phenoxymethyl)-1,3-thiazole

C17H15NO2S — CID 90704535

IUPAC2,5-bis(phenoxymethyl)-1,3-thiazole
SMILESc1ccc(OCc2cnc(COc3ccccc3)s2)cc1
InChIInChI=1S/C17H15NO2S/c1-3-7-14(8-4-1)19-12-16-11-18-17(21-16)13-20-15-9-5-2-6-10-15/h1-11H,12-13H2
InChIKeyASCHNBFJAMUFSE-UHFFFAOYSA-N
MW297.38 g/mol
LogP4.30
Rot. Bonds6

About 2,5-bis(phenoxymethyl)-1,3-thiazole

2,5-bis(phenoxymethyl)-1,3-thiazole (PubChem CID 90704535) has the molecular formula C17H15NO2S and a molecular weight of 297.38 g/mol. Its IUPAC name is 2,5-bis(phenoxymethyl)-1,3-thiazole.

Molecular Properties

Compound Name2,5-bis(phenoxymethyl)-1,3-thiazole
PubChem CID90704535
Molecular FormulaC17H15NO2S
Molecular Weight297.38 g/mol
Exact Mass297.08
IUPAC Name2,5-bis(phenoxymethyl)-1,3-thiazole
SMILESc1ccc(OCc2cnc(COc3ccccc3)s2)cc1
InChIInChI=1S/C17H15NO2S/c1-3-7-14(8-4-1)19-12-16-11-18-17(21-16)13-20-15-9-5-2-6-10-15/h1-11H,12-13H2
InChIKeyASCHNBFJAMUFSE-UHFFFAOYSA-N
XLogP4.30
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,5-bis(phenoxymethyl)-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(phenoxymethyl)-1,3-thiazol-5-yl]ethanamine
CID 94686224
5-[(4-phenoxyphenoxy)methyl]-1,3-thiazol-2-amine
CID 79762020
[2-[(3-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]methanamine
CID 95461249
[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-5-yl]methanol
CID 82190969
2-[2-[(4-bromophenoxy)methyl]-1,3-thiazol-5-yl]ethanamine
CID 94721333
N-[[2-[(3-chlorophenoxy)methyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 82190975
5-[2-(phenoxymethyl)-1,3-thiazol-5-yl]-1,2-dihydro-1,2,4-triazole-3-thione
CID 82422727
2-[2-[(3-bromophenoxy)methyl]-1,3-thiazol-5-yl]ethanamine
CID 94721332
3-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-5-yl]propanoic acid
CID 82423049
3-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-5-yl]propanoic acid
CID 82423076
2-[2-[(4-bromophenoxy)methyl]-1,3-thiazol-5-yl]acetonitrile
CID 82423092
2-chloro-5-(phenoxymethyl)thiophene
CID 60655556

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(phenoxymethyl)-1,3-thiazole?
The IUPAC name of 2,5-bis(phenoxymethyl)-1,3-thiazole (CID 90704535) is 2,5-bis(phenoxymethyl)-1,3-thiazole.
What is the SMILES notation for 2,5-bis(phenoxymethyl)-1,3-thiazole?
The canonical SMILES for 2,5-bis(phenoxymethyl)-1,3-thiazole is c1ccc(OCc2cnc(COc3ccccc3)s2)cc1.
What is the InChIKey of 2,5-bis(phenoxymethyl)-1,3-thiazole?
The InChIKey is ASCHNBFJAMUFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2S/c1-3-7-14(8-4-1)19-12-16-11-18-17(21-16)13-20-15-9-5-2-6-10-15/h1-11H,12-13H2.
What are the key properties of 2,5-bis(phenoxymethyl)-1,3-thiazole?
2,5-bis(phenoxymethyl)-1,3-thiazole has a molecular weight of 297.38 g/mol, XLogP of 4.30, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(phenoxymethyl)-1,3-thiazole is sourced from PubChem (CID 90704535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).