2-(5-iodopyrazin-2-yl)-1,3-thiazol-4-amine

C7H5IN4S — CID 135232511

IUPAC2-(5-iodopyrazin-2-yl)-1,3-thiazol-4-amine
SMILESNc1csc(-c2cnc(I)cn2)n1
InChIInChI=1S/C7H5IN4S/c8-5-2-10-4(1-11-5)7-12-6(9)3-13-7/h1-3H,9H2
InChIKeyKTRFVSCDAUSIBQ-UHFFFAOYSA-N
MW304.12 g/mol
LogP1.79
Rot. Bonds1

About 2-(5-iodopyrazin-2-yl)-1,3-thiazol-4-amine

2-(5-iodopyrazin-2-yl)-1,3-thiazol-4-amine (PubChem CID 135232511) has the molecular formula C7H5IN4S and a molecular weight of 304.12 g/mol. Its IUPAC name is 2-(5-iodopyrazin-2-yl)-1,3-thiazol-4-amine.

Molecular Properties

Compound Name2-(5-iodopyrazin-2-yl)-1,3-thiazol-4-amine
PubChem CID135232511
Molecular FormulaC7H5IN4S
Molecular Weight304.12 g/mol
Exact Mass303.93
IUPAC Name2-(5-iodopyrazin-2-yl)-1,3-thiazol-4-amine
SMILESNc1csc(-c2cnc(I)cn2)n1
InChIInChI=1S/C7H5IN4S/c8-5-2-10-4(1-11-5)7-12-6(9)3-13-7/h1-3H,9H2
InChIKeyKTRFVSCDAUSIBQ-UHFFFAOYSA-N
XLogP1.79
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.12
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-iodopyrazin-2-yl)-1,3-thiazol-4-amine?
The IUPAC name of 2-(5-iodopyrazin-2-yl)-1,3-thiazol-4-amine (CID 135232511) is 2-(5-iodopyrazin-2-yl)-1,3-thiazol-4-amine.
What is the SMILES notation for 2-(5-iodopyrazin-2-yl)-1,3-thiazol-4-amine?
The canonical SMILES for 2-(5-iodopyrazin-2-yl)-1,3-thiazol-4-amine is Nc1csc(-c2cnc(I)cn2)n1.
What is the InChIKey of 2-(5-iodopyrazin-2-yl)-1,3-thiazol-4-amine?
The InChIKey is KTRFVSCDAUSIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5IN4S/c8-5-2-10-4(1-11-5)7-12-6(9)3-13-7/h1-3H,9H2.
What are the key properties of 2-(5-iodopyrazin-2-yl)-1,3-thiazol-4-amine?
2-(5-iodopyrazin-2-yl)-1,3-thiazol-4-amine has a molecular weight of 304.12 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-iodopyrazin-2-yl)-1,3-thiazol-4-amine is sourced from PubChem (CID 135232511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).