[5-(5-iodo-1,3-thiazol-2-yl)oxolan-2-yl]methanol

C8H10INO2S — CID 126983801

IUPAC[5-(5-iodo-1,3-thiazol-2-yl)oxolan-2-yl]methanol
SMILESOCC1CCC(c2ncc(I)s2)O1
InChIInChI=1S/C8H10INO2S/c9-7-3-10-8(13-7)6-2-1-5(4-11)12-6/h3,5-6,11H,1-2,4H2
InChIKeyAGTZETCMMLXBJV-UHFFFAOYSA-N
MW311.14 g/mol
LogP1.96
Rot. Bonds2

About [5-(5-iodo-1,3-thiazol-2-yl)oxolan-2-yl]methanol

[5-(5-iodo-1,3-thiazol-2-yl)oxolan-2-yl]methanol (PubChem CID 126983801) has the molecular formula C8H10INO2S and a molecular weight of 311.14 g/mol. Its IUPAC name is [5-(5-iodo-1,3-thiazol-2-yl)oxolan-2-yl]methanol.

Molecular Properties

Compound Name[5-(5-iodo-1,3-thiazol-2-yl)oxolan-2-yl]methanol
PubChem CID126983801
Molecular FormulaC8H10INO2S
Molecular Weight311.14 g/mol
Exact Mass310.95
IUPAC Name[5-(5-iodo-1,3-thiazol-2-yl)oxolan-2-yl]methanol
SMILESOCC1CCC(c2ncc(I)s2)O1
InChIInChI=1S/C8H10INO2S/c9-7-3-10-8(13-7)6-2-1-5(4-11)12-6/h3,5-6,11H,1-2,4H2
InChIKeyAGTZETCMMLXBJV-UHFFFAOYSA-N
XLogP1.96
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.14
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(5-iodo-1,3-thiazol-2-yl)oxolan-2-yl]methanol?
The IUPAC name of [5-(5-iodo-1,3-thiazol-2-yl)oxolan-2-yl]methanol (CID 126983801) is [5-(5-iodo-1,3-thiazol-2-yl)oxolan-2-yl]methanol.
What is the SMILES notation for [5-(5-iodo-1,3-thiazol-2-yl)oxolan-2-yl]methanol?
The canonical SMILES for [5-(5-iodo-1,3-thiazol-2-yl)oxolan-2-yl]methanol is OCC1CCC(c2ncc(I)s2)O1.
What is the InChIKey of [5-(5-iodo-1,3-thiazol-2-yl)oxolan-2-yl]methanol?
The InChIKey is AGTZETCMMLXBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10INO2S/c9-7-3-10-8(13-7)6-2-1-5(4-11)12-6/h3,5-6,11H,1-2,4H2.
What are the key properties of [5-(5-iodo-1,3-thiazol-2-yl)oxolan-2-yl]methanol?
[5-(5-iodo-1,3-thiazol-2-yl)oxolan-2-yl]methanol has a molecular weight of 311.14 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-iodo-1,3-thiazol-2-yl)oxolan-2-yl]methanol is sourced from PubChem (CID 126983801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).