[2-(5-iodothiophen-3-yl)-1,3-oxazol-4-yl]methanamine

C8H7IN2OS — CID 79690654

IUPAC[2-(5-iodothiophen-3-yl)-1,3-oxazol-4-yl]methanamine
SMILESNCc1coc(-c2csc(I)c2)n1
InChIInChI=1S/C8H7IN2OS/c9-7-1-5(4-13-7)8-11-6(2-10)3-12-8/h1,3-4H,2,10H2
InChIKeyJQTJLYYHKSXFIB-UHFFFAOYSA-N
MW306.13 g/mol
LogP2.47
Rot. Bonds2

About [2-(5-iodothiophen-3-yl)-1,3-oxazol-4-yl]methanamine

[2-(5-iodothiophen-3-yl)-1,3-oxazol-4-yl]methanamine (PubChem CID 79690654) has the molecular formula C8H7IN2OS and a molecular weight of 306.13 g/mol. Its IUPAC name is [2-(5-iodothiophen-3-yl)-1,3-oxazol-4-yl]methanamine.

Molecular Properties

Compound Name[2-(5-iodothiophen-3-yl)-1,3-oxazol-4-yl]methanamine
PubChem CID79690654
Molecular FormulaC8H7IN2OS
Molecular Weight306.13 g/mol
Exact Mass305.93
IUPAC Name[2-(5-iodothiophen-3-yl)-1,3-oxazol-4-yl]methanamine
SMILESNCc1coc(-c2csc(I)c2)n1
InChIInChI=1S/C8H7IN2OS/c9-7-1-5(4-13-7)8-11-6(2-10)3-12-8/h1,3-4H,2,10H2
InChIKeyJQTJLYYHKSXFIB-UHFFFAOYSA-N
XLogP2.47
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.13
LogP ≤ 52.47
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 [2-(5-iodothiophen-3-yl)-1,3-oxazol-4-yl]methanamine?
The IUPAC name of [2-(5-iodothiophen-3-yl)-1,3-oxazol-4-yl]methanamine (CID 79690654) is [2-(5-iodothiophen-3-yl)-1,3-oxazol-4-yl]methanamine.
What is the SMILES notation for [2-(5-iodothiophen-3-yl)-1,3-oxazol-4-yl]methanamine?
The canonical SMILES for [2-(5-iodothiophen-3-yl)-1,3-oxazol-4-yl]methanamine is NCc1coc(-c2csc(I)c2)n1.
What is the InChIKey of [2-(5-iodothiophen-3-yl)-1,3-oxazol-4-yl]methanamine?
The InChIKey is JQTJLYYHKSXFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7IN2OS/c9-7-1-5(4-13-7)8-11-6(2-10)3-12-8/h1,3-4H,2,10H2.
What are the key properties of [2-(5-iodothiophen-3-yl)-1,3-oxazol-4-yl]methanamine?
[2-(5-iodothiophen-3-yl)-1,3-oxazol-4-yl]methanamine has a molecular weight of 306.13 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-iodothiophen-3-yl)-1,3-oxazol-4-yl]methanamine is sourced from PubChem (CID 79690654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).