2-iodo-1,3-thiazole

C3H2INS — CID 10867563

IUPAC2-iodo-1,3-thiazole
SMILESIc1nccs1
InChIInChI=1S/C3H2INS/c4-3-5-1-2-6-3/h1-2H
InChIKeyVAQSRTGFMKWNIH-UHFFFAOYSA-N
MW211.03 g/mol
LogP1.75
Rot. Bonds

About 2-iodo-1,3-thiazole

2-iodo-1,3-thiazole (PubChem CID 10867563) has the molecular formula C3H2INS and a molecular weight of 211.03 g/mol. Its IUPAC name is 2-iodo-1,3-thiazole.

Molecular Properties

Compound Name2-iodo-1,3-thiazole
PubChem CID10867563
Molecular FormulaC3H2INS
Molecular Weight211.03 g/mol
Exact Mass210.90
IUPAC Name2-iodo-1,3-thiazole
SMILESIc1nccs1
InChIInChI=1S/C3H2INS/c4-3-5-1-2-6-3/h1-2H
InChIKeyVAQSRTGFMKWNIH-UHFFFAOYSA-N
XLogP1.75
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.03
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-iodo-1,3-thiazole?
The IUPAC name of 2-iodo-1,3-thiazole (CID 10867563) is 2-iodo-1,3-thiazole.
What is the SMILES notation for 2-iodo-1,3-thiazole?
The canonical SMILES for 2-iodo-1,3-thiazole is Ic1nccs1.
What is the InChIKey of 2-iodo-1,3-thiazole?
The InChIKey is VAQSRTGFMKWNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2INS/c4-3-5-1-2-6-3/h1-2H.
What are the key properties of 2-iodo-1,3-thiazole?
2-iodo-1,3-thiazole has a molecular weight of 211.03 g/mol, XLogP of 1.75, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-1,3-thiazole is sourced from PubChem (CID 10867563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).