2-(2-iodophenoxy)-1,3-thiazol-5-amine

C9H7IN2OS — CID 102769412

IUPAC2-(2-iodophenoxy)-1,3-thiazol-5-amine
SMILESNc1cnc(Oc2ccccc2I)s1
InChIInChI=1S/C9H7IN2OS/c10-6-3-1-2-4-7(6)13-9-12-5-8(11)14-9/h1-5H,11H2
InChIKeyKJORTAAPJSSLSI-UHFFFAOYSA-N
MW318.14 g/mol
LogP3.12
Rot. Bonds2

About 2-(2-iodophenoxy)-1,3-thiazol-5-amine

2-(2-iodophenoxy)-1,3-thiazol-5-amine (PubChem CID 102769412) has the molecular formula C9H7IN2OS and a molecular weight of 318.14 g/mol. Its IUPAC name is 2-(2-iodophenoxy)-1,3-thiazol-5-amine.

Molecular Properties

Compound Name2-(2-iodophenoxy)-1,3-thiazol-5-amine
PubChem CID102769412
Molecular FormulaC9H7IN2OS
Molecular Weight318.14 g/mol
Exact Mass317.93
IUPAC Name2-(2-iodophenoxy)-1,3-thiazol-5-amine
SMILESNc1cnc(Oc2ccccc2I)s1
InChIInChI=1S/C9H7IN2OS/c10-6-3-1-2-4-7(6)13-9-12-5-8(11)14-9/h1-5H,11H2
InChIKeyKJORTAAPJSSLSI-UHFFFAOYSA-N
XLogP3.12
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.14
LogP ≤ 53.12
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-(2-iodophenoxy)-1,3-thiazol-5-amine?
The IUPAC name of 2-(2-iodophenoxy)-1,3-thiazol-5-amine (CID 102769412) is 2-(2-iodophenoxy)-1,3-thiazol-5-amine.
What is the SMILES notation for 2-(2-iodophenoxy)-1,3-thiazol-5-amine?
The canonical SMILES for 2-(2-iodophenoxy)-1,3-thiazol-5-amine is Nc1cnc(Oc2ccccc2I)s1.
What is the InChIKey of 2-(2-iodophenoxy)-1,3-thiazol-5-amine?
The InChIKey is KJORTAAPJSSLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7IN2OS/c10-6-3-1-2-4-7(6)13-9-12-5-8(11)14-9/h1-5H,11H2.
What are the key properties of 2-(2-iodophenoxy)-1,3-thiazol-5-amine?
2-(2-iodophenoxy)-1,3-thiazol-5-amine has a molecular weight of 318.14 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-iodophenoxy)-1,3-thiazol-5-amine is sourced from PubChem (CID 102769412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).