5-ethyl-3-iodo-1,2-thiazole

C5H6INS — CID 135219656

IUPAC5-ethyl-3-iodo-1,2-thiazole
SMILESCCc1cc(I)ns1
InChIInChI=1S/C5H6INS/c1-2-4-3-5(6)7-8-4/h3H,2H2,1H3
InChIKeyMNDQOTMLSCLLTM-UHFFFAOYSA-N
MW239.08 g/mol
LogP2.31
Rot. Bonds1

About 5-ethyl-3-iodo-1,2-thiazole

5-ethyl-3-iodo-1,2-thiazole (PubChem CID 135219656) has the molecular formula C5H6INS and a molecular weight of 239.08 g/mol. Its IUPAC name is 5-ethyl-3-iodo-1,2-thiazole.

Molecular Properties

Compound Name5-ethyl-3-iodo-1,2-thiazole
PubChem CID135219656
Molecular FormulaC5H6INS
Molecular Weight239.08 g/mol
Exact Mass238.93
IUPAC Name5-ethyl-3-iodo-1,2-thiazole
SMILESCCc1cc(I)ns1
InChIInChI=1S/C5H6INS/c1-2-4-3-5(6)7-8-4/h3H,2H2,1H3
InChIKeyMNDQOTMLSCLLTM-UHFFFAOYSA-N
XLogP2.31
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.08
LogP ≤ 52.31
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 5-ethyl-3-iodo-1,2-thiazole?
The IUPAC name of 5-ethyl-3-iodo-1,2-thiazole (CID 135219656) is 5-ethyl-3-iodo-1,2-thiazole.
What is the SMILES notation for 5-ethyl-3-iodo-1,2-thiazole?
The canonical SMILES for 5-ethyl-3-iodo-1,2-thiazole is CCc1cc(I)ns1.
What is the InChIKey of 5-ethyl-3-iodo-1,2-thiazole?
The InChIKey is MNDQOTMLSCLLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6INS/c1-2-4-3-5(6)7-8-4/h3H,2H2,1H3.
What are the key properties of 5-ethyl-3-iodo-1,2-thiazole?
5-ethyl-3-iodo-1,2-thiazole has a molecular weight of 239.08 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-iodo-1,2-thiazole is sourced from PubChem (CID 135219656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).