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

C5H8INS — CID 142533959

IUPAC2-iodo-3,4-dimethyl-2H-1,3-thiazole
SMILESCC1=CSC(I)N1C
InChIInChI=1S/C5H8INS/c1-4-3-8-5(6)7(4)2/h3,5H,1-2H3
InChIKeyPVTQYRQEMAEQFU-UHFFFAOYSA-N
MW241.10 g/mol
LogP2.24
Rot. Bonds

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

2-iodo-3,4-dimethyl-2H-1,3-thiazole (PubChem CID 142533959) has the molecular formula C5H8INS and a molecular weight of 241.10 g/mol. Its IUPAC name is 2-iodo-3,4-dimethyl-2H-1,3-thiazole.

Molecular Properties

Compound Name2-iodo-3,4-dimethyl-2H-1,3-thiazole
PubChem CID142533959
Molecular FormulaC5H8INS
Molecular Weight241.10 g/mol
Exact Mass240.94
IUPAC Name2-iodo-3,4-dimethyl-2H-1,3-thiazole
SMILESCC1=CSC(I)N1C
InChIInChI=1S/C5H8INS/c1-4-3-8-5(6)7(4)2/h3,5H,1-2H3
InChIKeyPVTQYRQEMAEQFU-UHFFFAOYSA-N
XLogP2.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.10
LogP ≤ 52.24
H-Bond Donors ≤ 50
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-3,4-dimethyl-2H-1,3-thiazole?
The IUPAC name of 2-iodo-3,4-dimethyl-2H-1,3-thiazole (CID 142533959) is 2-iodo-3,4-dimethyl-2H-1,3-thiazole.
What is the SMILES notation for 2-iodo-3,4-dimethyl-2H-1,3-thiazole?
The canonical SMILES for 2-iodo-3,4-dimethyl-2H-1,3-thiazole is CC1=CSC(I)N1C.
What is the InChIKey of 2-iodo-3,4-dimethyl-2H-1,3-thiazole?
The InChIKey is PVTQYRQEMAEQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8INS/c1-4-3-8-5(6)7(4)2/h3,5H,1-2H3.
What are the key properties of 2-iodo-3,4-dimethyl-2H-1,3-thiazole?
2-iodo-3,4-dimethyl-2H-1,3-thiazole has a molecular weight of 241.10 g/mol, XLogP of 2.24, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-3,4-dimethyl-2H-1,3-thiazole is sourced from PubChem (CID 142533959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).