2-iodo-4,5-dimethyl-1,3-thiazole

C5H6INS — CID 21100233

IUPAC2-iodo-4,5-dimethyl-1,3-thiazole
SMILESCc1nc(I)sc1C
InChIInChI=1S/C5H6INS/c1-3-4(2)8-5(6)7-3/h1-2H3
InChIKeyCJROBJQQMDDHLX-UHFFFAOYSA-N
MW239.08 g/mol
LogP2.36
Rot. Bonds

About 2-iodo-4,5-dimethyl-1,3-thiazole

2-iodo-4,5-dimethyl-1,3-thiazole (PubChem CID 21100233) has the molecular formula C5H6INS and a molecular weight of 239.08 g/mol. Its IUPAC name is 2-iodo-4,5-dimethyl-1,3-thiazole.

Molecular Properties

Compound Name2-iodo-4,5-dimethyl-1,3-thiazole
PubChem CID21100233
Molecular FormulaC5H6INS
Molecular Weight239.08 g/mol
Exact Mass238.93
IUPAC Name2-iodo-4,5-dimethyl-1,3-thiazole
SMILESCc1nc(I)sc1C
InChIInChI=1S/C5H6INS/c1-3-4(2)8-5(6)7-3/h1-2H3
InChIKeyCJROBJQQMDDHLX-UHFFFAOYSA-N
XLogP2.36
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.08
LogP ≤ 52.36
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-4,5-dimethyl-1,3-thiazole?
The IUPAC name of 2-iodo-4,5-dimethyl-1,3-thiazole (CID 21100233) is 2-iodo-4,5-dimethyl-1,3-thiazole.
What is the SMILES notation for 2-iodo-4,5-dimethyl-1,3-thiazole?
The canonical SMILES for 2-iodo-4,5-dimethyl-1,3-thiazole is Cc1nc(I)sc1C.
What is the InChIKey of 2-iodo-4,5-dimethyl-1,3-thiazole?
The InChIKey is CJROBJQQMDDHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6INS/c1-3-4(2)8-5(6)7-3/h1-2H3.
What are the key properties of 2-iodo-4,5-dimethyl-1,3-thiazole?
2-iodo-4,5-dimethyl-1,3-thiazole has a molecular weight of 239.08 g/mol, XLogP of 2.36, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-4,5-dimethyl-1,3-thiazole is sourced from PubChem (CID 21100233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).