5-chloro-2-[5-(iodomethyl)oxolan-2-yl]-1,3-thiazole

C8H9ClINOS — CID 126983686

IUPAC5-chloro-2-[5-(iodomethyl)oxolan-2-yl]-1,3-thiazole
SMILESClc1cnc(C2CCC(CI)O2)s1
InChIInChI=1S/C8H9ClINOS/c9-7-4-11-8(13-7)6-2-1-5(3-10)12-6/h4-6H,1-3H2
InChIKeyXUKXKOXKIBYYOF-UHFFFAOYSA-N
MW329.59 g/mol
LogP3.45
Rot. Bonds2

About 5-chloro-2-[5-(iodomethyl)oxolan-2-yl]-1,3-thiazole

5-chloro-2-[5-(iodomethyl)oxolan-2-yl]-1,3-thiazole (PubChem CID 126983686) has the molecular formula C8H9ClINOS and a molecular weight of 329.59 g/mol. Its IUPAC name is 5-chloro-2-[5-(iodomethyl)oxolan-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name5-chloro-2-[5-(iodomethyl)oxolan-2-yl]-1,3-thiazole
PubChem CID126983686
Molecular FormulaC8H9ClINOS
Molecular Weight329.59 g/mol
Exact Mass328.91
IUPAC Name5-chloro-2-[5-(iodomethyl)oxolan-2-yl]-1,3-thiazole
SMILESClc1cnc(C2CCC(CI)O2)s1
InChIInChI=1S/C8H9ClINOS/c9-7-4-11-8(13-7)6-2-1-5(3-10)12-6/h4-6H,1-3H2
InChIKeyXUKXKOXKIBYYOF-UHFFFAOYSA-N
XLogP3.45
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.59
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[5-(iodomethyl)oxolan-2-yl]-1,3-thiazole?
The IUPAC name of 5-chloro-2-[5-(iodomethyl)oxolan-2-yl]-1,3-thiazole (CID 126983686) is 5-chloro-2-[5-(iodomethyl)oxolan-2-yl]-1,3-thiazole.
What is the SMILES notation for 5-chloro-2-[5-(iodomethyl)oxolan-2-yl]-1,3-thiazole?
The canonical SMILES for 5-chloro-2-[5-(iodomethyl)oxolan-2-yl]-1,3-thiazole is Clc1cnc(C2CCC(CI)O2)s1.
What is the InChIKey of 5-chloro-2-[5-(iodomethyl)oxolan-2-yl]-1,3-thiazole?
The InChIKey is XUKXKOXKIBYYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClINOS/c9-7-4-11-8(13-7)6-2-1-5(3-10)12-6/h4-6H,1-3H2.
What are the key properties of 5-chloro-2-[5-(iodomethyl)oxolan-2-yl]-1,3-thiazole?
5-chloro-2-[5-(iodomethyl)oxolan-2-yl]-1,3-thiazole has a molecular weight of 329.59 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[5-(iodomethyl)oxolan-2-yl]-1,3-thiazole is sourced from PubChem (CID 126983686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).