2-iodo-4-methyl-1,3-thiazole

C4H4INS — CID 23154594

IUPAC2-iodo-4-methyl-1,3-thiazole
SMILESCc1csc(I)n1
InChIInChI=1S/C4H4INS/c1-3-2-7-4(5)6-3/h2H,1H3
InChIKeyZXQBECTXVXNCND-UHFFFAOYSA-N
MW225.05 g/mol
LogP2.06
Rot. Bonds

About 2-iodo-4-methyl-1,3-thiazole

2-iodo-4-methyl-1,3-thiazole (PubChem CID 23154594) has the molecular formula C4H4INS and a molecular weight of 225.05 g/mol. Its IUPAC name is 2-iodo-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-iodo-4-methyl-1,3-thiazole
PubChem CID23154594
Molecular FormulaC4H4INS
Molecular Weight225.05 g/mol
Exact Mass224.91
IUPAC Name2-iodo-4-methyl-1,3-thiazole
SMILESCc1csc(I)n1
InChIInChI=1S/C4H4INS/c1-3-2-7-4(5)6-3/h2H,1H3
InChIKeyZXQBECTXVXNCND-UHFFFAOYSA-N
XLogP2.06
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.05
LogP ≤ 52.06
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-methyl-1,3-thiazole?
The IUPAC name of 2-iodo-4-methyl-1,3-thiazole (CID 23154594) is 2-iodo-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-iodo-4-methyl-1,3-thiazole?
The canonical SMILES for 2-iodo-4-methyl-1,3-thiazole is Cc1csc(I)n1.
What is the InChIKey of 2-iodo-4-methyl-1,3-thiazole?
The InChIKey is ZXQBECTXVXNCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4INS/c1-3-2-7-4(5)6-3/h2H,1H3.
What are the key properties of 2-iodo-4-methyl-1,3-thiazole?
2-iodo-4-methyl-1,3-thiazole has a molecular weight of 225.05 g/mol, XLogP of 2.06, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-4-methyl-1,3-thiazole is sourced from PubChem (CID 23154594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).