2-(imidazol-1-yloxymethyl)-1,3-thiazole

C7H7N3OS — CID 18171992

IUPAC2-(imidazol-1-yloxymethyl)-1,3-thiazole
SMILESc1cn(OCc2nccs2)cn1
InChIInChI=1S/C7H7N3OS/c1-3-10(6-8-1)11-5-7-9-2-4-12-7/h1-4,6H,5H2
InChIKeyNYLCPOLOZLCGGR-UHFFFAOYSA-N
MW181.22 g/mol
LogP0.97
Rot. Bonds3

About 2-(imidazol-1-yloxymethyl)-1,3-thiazole

2-(imidazol-1-yloxymethyl)-1,3-thiazole (PubChem CID 18171992) has the molecular formula C7H7N3OS and a molecular weight of 181.22 g/mol. Its IUPAC name is 2-(imidazol-1-yloxymethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(imidazol-1-yloxymethyl)-1,3-thiazole
PubChem CID18171992
Molecular FormulaC7H7N3OS
Molecular Weight181.22 g/mol
Exact Mass181.03
IUPAC Name2-(imidazol-1-yloxymethyl)-1,3-thiazole
SMILESc1cn(OCc2nccs2)cn1
InChIInChI=1S/C7H7N3OS/c1-3-10(6-8-1)11-5-7-9-2-4-12-7/h1-4,6H,5H2
InChIKeyNYLCPOLOZLCGGR-UHFFFAOYSA-N
XLogP0.97
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.22
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(imidazol-1-yloxymethyl)-1,3-thiazole?
The IUPAC name of 2-(imidazol-1-yloxymethyl)-1,3-thiazole (CID 18171992) is 2-(imidazol-1-yloxymethyl)-1,3-thiazole.
What is the SMILES notation for 2-(imidazol-1-yloxymethyl)-1,3-thiazole?
The canonical SMILES for 2-(imidazol-1-yloxymethyl)-1,3-thiazole is c1cn(OCc2nccs2)cn1.
What is the InChIKey of 2-(imidazol-1-yloxymethyl)-1,3-thiazole?
The InChIKey is NYLCPOLOZLCGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3OS/c1-3-10(6-8-1)11-5-7-9-2-4-12-7/h1-4,6H,5H2.
What are the key properties of 2-(imidazol-1-yloxymethyl)-1,3-thiazole?
2-(imidazol-1-yloxymethyl)-1,3-thiazole has a molecular weight of 181.22 g/mol, XLogP of 0.97, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(imidazol-1-yloxymethyl)-1,3-thiazole is sourced from PubChem (CID 18171992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).