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

C5H8INS — CID 122579521

IUPAC2-iodo-4,5-dimethyl-2,3-dihydro-1,3-thiazole
SMILESCC1=C(C)SC(I)N1
InChIInChI=1S/C5H8INS/c1-3-4(2)8-5(6)7-3/h5,7H,1-2H3
InChIKeyROTLGJUQMLQAKC-UHFFFAOYSA-N
MW241.10 g/mol
LogP2.29
Rot. Bonds

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

2-iodo-4,5-dimethyl-2,3-dihydro-1,3-thiazole (PubChem CID 122579521) has the molecular formula C5H8INS and a molecular weight of 241.10 g/mol. Its IUPAC name is 2-iodo-4,5-dimethyl-2,3-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-iodo-4,5-dimethyl-2,3-dihydro-1,3-thiazole
PubChem CID122579521
Molecular FormulaC5H8INS
Molecular Weight241.10 g/mol
Exact Mass240.94
IUPAC Name2-iodo-4,5-dimethyl-2,3-dihydro-1,3-thiazole
SMILESCC1=C(C)SC(I)N1
InChIInChI=1S/C5H8INS/c1-3-4(2)8-5(6)7-3/h5,7H,1-2H3
InChIKeyROTLGJUQMLQAKC-UHFFFAOYSA-N
XLogP2.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.10
LogP ≤ 52.29
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'}

Analyze 2-iodo-4,5-dimethyl-2,3-dihydro-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-iodo-4,5-dimethyl-2,3-dihydro-1,3-thiazole?
The IUPAC name of 2-iodo-4,5-dimethyl-2,3-dihydro-1,3-thiazole (CID 122579521) is 2-iodo-4,5-dimethyl-2,3-dihydro-1,3-thiazole.
What is the SMILES notation for 2-iodo-4,5-dimethyl-2,3-dihydro-1,3-thiazole?
The canonical SMILES for 2-iodo-4,5-dimethyl-2,3-dihydro-1,3-thiazole is CC1=C(C)SC(I)N1.
What is the InChIKey of 2-iodo-4,5-dimethyl-2,3-dihydro-1,3-thiazole?
The InChIKey is ROTLGJUQMLQAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8INS/c1-3-4(2)8-5(6)7-3/h5,7H,1-2H3.
What are the key properties of 2-iodo-4,5-dimethyl-2,3-dihydro-1,3-thiazole?
2-iodo-4,5-dimethyl-2,3-dihydro-1,3-thiazole has a molecular weight of 241.10 g/mol, XLogP of 2.29, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-4,5-dimethyl-2,3-dihydro-1,3-thiazole is sourced from PubChem (CID 122579521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).