5-iodo-2-(1-methoxycyclopentyl)-1,3-thiazole

C9H12INOS — CID 68721870

IUPAC5-iodo-2-(1-methoxycyclopentyl)-1,3-thiazole
SMILESCOC1(c2ncc(I)s2)CCCC1
InChIInChI=1S/C9H12INOS/c1-12-9(4-2-3-5-9)8-11-6-7(10)13-8/h6H,2-5H2,1H3
InChIKeyUITFKFJKFHLOAB-UHFFFAOYSA-N
MW309.17 g/mol
LogP3.16
Rot. Bonds2

About 5-iodo-2-(1-methoxycyclopentyl)-1,3-thiazole

5-iodo-2-(1-methoxycyclopentyl)-1,3-thiazole (PubChem CID 68721870) has the molecular formula C9H12INOS and a molecular weight of 309.17 g/mol. Its IUPAC name is 5-iodo-2-(1-methoxycyclopentyl)-1,3-thiazole.

Molecular Properties

Compound Name5-iodo-2-(1-methoxycyclopentyl)-1,3-thiazole
PubChem CID68721870
Molecular FormulaC9H12INOS
Molecular Weight309.17 g/mol
Exact Mass308.97
IUPAC Name5-iodo-2-(1-methoxycyclopentyl)-1,3-thiazole
SMILESCOC1(c2ncc(I)s2)CCCC1
InChIInChI=1S/C9H12INOS/c1-12-9(4-2-3-5-9)8-11-6-7(10)13-8/h6H,2-5H2,1H3
InChIKeyUITFKFJKFHLOAB-UHFFFAOYSA-N
XLogP3.16
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.17
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-(1-methoxycyclopentyl)-1,3-thiazole?
The IUPAC name of 5-iodo-2-(1-methoxycyclopentyl)-1,3-thiazole (CID 68721870) is 5-iodo-2-(1-methoxycyclopentyl)-1,3-thiazole.
What is the SMILES notation for 5-iodo-2-(1-methoxycyclopentyl)-1,3-thiazole?
The canonical SMILES for 5-iodo-2-(1-methoxycyclopentyl)-1,3-thiazole is COC1(c2ncc(I)s2)CCCC1.
What is the InChIKey of 5-iodo-2-(1-methoxycyclopentyl)-1,3-thiazole?
The InChIKey is UITFKFJKFHLOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12INOS/c1-12-9(4-2-3-5-9)8-11-6-7(10)13-8/h6H,2-5H2,1H3.
What are the key properties of 5-iodo-2-(1-methoxycyclopentyl)-1,3-thiazole?
5-iodo-2-(1-methoxycyclopentyl)-1,3-thiazole has a molecular weight of 309.17 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-(1-methoxycyclopentyl)-1,3-thiazole is sourced from PubChem (CID 68721870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).