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

C8H9I2NOS — CID 130583464

IUPAC5-iodo-2-[5-(iodomethyl)oxolan-2-yl]-1,3-thiazole
SMILESICC1CCC(c2ncc(I)s2)O1
InChIInChI=1S/C8H9I2NOS/c9-3-5-1-2-6(12-5)8-11-4-7(10)13-8/h4-6H,1-3H2
InChIKeyMAMITLLPVHFXHL-UHFFFAOYSA-N
MW421.04 g/mol
LogP3.40
Rot. Bonds2

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

5-iodo-2-[5-(iodomethyl)oxolan-2-yl]-1,3-thiazole (PubChem CID 130583464) has the molecular formula C8H9I2NOS and a molecular weight of 421.04 g/mol. Its IUPAC name is 5-iodo-2-[5-(iodomethyl)oxolan-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name5-iodo-2-[5-(iodomethyl)oxolan-2-yl]-1,3-thiazole
PubChem CID130583464
Molecular FormulaC8H9I2NOS
Molecular Weight421.04 g/mol
Exact Mass420.85
IUPAC Name5-iodo-2-[5-(iodomethyl)oxolan-2-yl]-1,3-thiazole
SMILESICC1CCC(c2ncc(I)s2)O1
InChIInChI=1S/C8H9I2NOS/c9-3-5-1-2-6(12-5)8-11-4-7(10)13-8/h4-6H,1-3H2
InChIKeyMAMITLLPVHFXHL-UHFFFAOYSA-N
XLogP3.40
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.04
LogP ≤ 53.40
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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Related Compounds

2-(Oxolan-2-yl)-1,3-thiazole
CID 67260446
5-Iodo-2-(1-methoxycyclopentyl)-1,3-thiazole
CID 68721870
5-bromo-2-[(2S)-oxan-2-yl]-1,3-thiazole
CID 138462728
5-Methyl-2-(oxolan-2-yl)-1,3-thiazole
CID 104469657
2-[5-(Bromomethyl)oxolan-2-yl]-5-chloro-1,3-thiazole
CID 126983680
2-[5-(Bromomethyl)oxolan-2-yl]-5-iodo-1,3-thiazole
CID 126983681
5-Chloro-2-[5-(iodomethyl)oxolan-2-yl]-1,3-thiazole
CID 126983686
5-Chloro-2-[5-(iodomethyl)-5-methyloxolan-2-yl]-1,3-thiazole
CID 126983693
[5-(5-Iodo-1,3-thiazol-2-yl)oxolan-2-yl]methanamine
CID 126983724
[5-(5-Iodo-1,3-thiazol-2-yl)oxolan-2-yl]methanol
CID 126983801
5-Bromo-2-(tetrahydro-2H-pyran-2-yl)thiazole
CID 130132086
2-(5-Iodo-1,3-thiazol-2-yl)oxolane-3-carbonitrile
CID 130541770

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-[5-(iodomethyl)oxolan-2-yl]-1,3-thiazole?
The IUPAC name of 5-iodo-2-[5-(iodomethyl)oxolan-2-yl]-1,3-thiazole (CID 130583464) is 5-iodo-2-[5-(iodomethyl)oxolan-2-yl]-1,3-thiazole.
What is the SMILES notation for 5-iodo-2-[5-(iodomethyl)oxolan-2-yl]-1,3-thiazole?
The canonical SMILES for 5-iodo-2-[5-(iodomethyl)oxolan-2-yl]-1,3-thiazole is ICC1CCC(c2ncc(I)s2)O1.
What is the InChIKey of 5-iodo-2-[5-(iodomethyl)oxolan-2-yl]-1,3-thiazole?
The InChIKey is MAMITLLPVHFXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9I2NOS/c9-3-5-1-2-6(12-5)8-11-4-7(10)13-8/h4-6H,1-3H2.
What are the key properties of 5-iodo-2-[5-(iodomethyl)oxolan-2-yl]-1,3-thiazole?
5-iodo-2-[5-(iodomethyl)oxolan-2-yl]-1,3-thiazole has a molecular weight of 421.04 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-[5-(iodomethyl)oxolan-2-yl]-1,3-thiazole is sourced from PubChem (CID 130583464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).