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

C4H6INS — CID 90244161

IUPAC2-iodo-4-methyl-2,3-dihydro-1,3-thiazole
SMILESCC1=CSC(I)N1
InChIInChI=1S/C4H6INS/c1-3-2-7-4(5)6-3/h2,4,6H,1H3
InChIKeyFLROTFKYGNWLAS-UHFFFAOYSA-N
MW227.07 g/mol
LogP1.90
Rot. Bonds

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

2-iodo-4-methyl-2,3-dihydro-1,3-thiazole (PubChem CID 90244161) has the molecular formula C4H6INS and a molecular weight of 227.07 g/mol. Its IUPAC name is 2-iodo-4-methyl-2,3-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-iodo-4-methyl-2,3-dihydro-1,3-thiazole
PubChem CID90244161
Molecular FormulaC4H6INS
Molecular Weight227.07 g/mol
Exact Mass226.93
IUPAC Name2-iodo-4-methyl-2,3-dihydro-1,3-thiazole
SMILESCC1=CSC(I)N1
InChIInChI=1S/C4H6INS/c1-3-2-7-4(5)6-3/h2,4,6H,1H3
InChIKeyFLROTFKYGNWLAS-UHFFFAOYSA-N
XLogP1.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.07
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-iodo-4-methyl-2,3-dihydro-1,3-thiazole?
The IUPAC name of 2-iodo-4-methyl-2,3-dihydro-1,3-thiazole (CID 90244161) is 2-iodo-4-methyl-2,3-dihydro-1,3-thiazole.
What is the SMILES notation for 2-iodo-4-methyl-2,3-dihydro-1,3-thiazole?
The canonical SMILES for 2-iodo-4-methyl-2,3-dihydro-1,3-thiazole is CC1=CSC(I)N1.
What is the InChIKey of 2-iodo-4-methyl-2,3-dihydro-1,3-thiazole?
The InChIKey is FLROTFKYGNWLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6INS/c1-3-2-7-4(5)6-3/h2,4,6H,1H3.
What are the key properties of 2-iodo-4-methyl-2,3-dihydro-1,3-thiazole?
2-iodo-4-methyl-2,3-dihydro-1,3-thiazole has a molecular weight of 227.07 g/mol, XLogP of 1.90, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-4-methyl-2,3-dihydro-1,3-thiazole is sourced from PubChem (CID 90244161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).