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

C8H11IN2OS — CID 126983724

IUPAC[5-(5-iodo-1,3-thiazol-2-yl)oxolan-2-yl]methanamine
SMILESNCC1CCC(c2ncc(I)s2)O1
InChIInChI=1S/C8H11IN2OS/c9-7-4-11-8(13-7)6-2-1-5(3-10)12-6/h4-6H,1-3,10H2
InChIKeyTZPLSHXUDFEFEX-UHFFFAOYSA-N
MW310.16 g/mol
LogP1.93
Rot. Bonds2

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

[5-(5-iodo-1,3-thiazol-2-yl)oxolan-2-yl]methanamine (PubChem CID 126983724) has the molecular formula C8H11IN2OS and a molecular weight of 310.16 g/mol. Its IUPAC name is [5-(5-iodo-1,3-thiazol-2-yl)oxolan-2-yl]methanamine.

Molecular Properties

Compound Name[5-(5-iodo-1,3-thiazol-2-yl)oxolan-2-yl]methanamine
PubChem CID126983724
Molecular FormulaC8H11IN2OS
Molecular Weight310.16 g/mol
Exact Mass309.96
IUPAC Name[5-(5-iodo-1,3-thiazol-2-yl)oxolan-2-yl]methanamine
SMILESNCC1CCC(c2ncc(I)s2)O1
InChIInChI=1S/C8H11IN2OS/c9-7-4-11-8(13-7)6-2-1-5(3-10)12-6/h4-6H,1-3,10H2
InChIKeyTZPLSHXUDFEFEX-UHFFFAOYSA-N
XLogP1.93
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.16
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-iodo-2-[5-(iodomethyl)oxolan-2-yl]-1,3-thiazole
CID 130583464
[6-(1,3-thiazol-2-yl)oxan-2-yl]methanamine
CID 130583812
[(2R,5S)-5-(1H-imidazol-5-yl)oxolan-2-yl]methanamine
CID 10419556
[5-(2-methyl-1,3-thiazol-4-yl)oxolan-2-yl]methanamine
CID 130583609
[5-(3-ethylimidazol-4-yl)oxolan-2-yl]methanamine
CID 130583644
[5-(3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)oxolan-2-yl]methanamine
CID 114353168
[(2R,5S)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methanamine
CID 119031140
7-[5-(aminomethyl)oxolan-2-yl]thieno[3,2-d]pyrimidin-4-amine;propane-2,2-diol
CID 170601310
[5-(1,3-dimethylpyrazol-4-yl)oxolan-2-yl]methanamine
CID 130583637
[(2R,5R)-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]oxolan-2-yl]methanamine
CID 129372919
[2-(5-ethyl-1,3-thiazol-2-yl)-1,3-dioxolan-4-yl]methanamine
CID 130965347
[(2S,5S)-5-naphthalen-2-yloxolan-2-yl]methanamine
CID 118052996

Frequently Asked Questions

What is the IUPAC name of [5-(5-iodo-1,3-thiazol-2-yl)oxolan-2-yl]methanamine?
The IUPAC name of [5-(5-iodo-1,3-thiazol-2-yl)oxolan-2-yl]methanamine (CID 126983724) is [5-(5-iodo-1,3-thiazol-2-yl)oxolan-2-yl]methanamine.
What is the SMILES notation for [5-(5-iodo-1,3-thiazol-2-yl)oxolan-2-yl]methanamine?
The canonical SMILES for [5-(5-iodo-1,3-thiazol-2-yl)oxolan-2-yl]methanamine is NCC1CCC(c2ncc(I)s2)O1.
What is the InChIKey of [5-(5-iodo-1,3-thiazol-2-yl)oxolan-2-yl]methanamine?
The InChIKey is TZPLSHXUDFEFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11IN2OS/c9-7-4-11-8(13-7)6-2-1-5(3-10)12-6/h4-6H,1-3,10H2.
What are the key properties of [5-(5-iodo-1,3-thiazol-2-yl)oxolan-2-yl]methanamine?
[5-(5-iodo-1,3-thiazol-2-yl)oxolan-2-yl]methanamine has a molecular weight of 310.16 g/mol, XLogP of 1.93, 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]methanamine is sourced from PubChem (CID 126983724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).