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

C4H4INS — CID 14601971

IUPAC5-iodo-2-methyl-1,3-thiazole
SMILESCc1ncc(I)s1
InChIInChI=1S/C4H4INS/c1-3-6-2-4(5)7-3/h2H,1H3
InChIKeyWSPHZZQQZDQEPV-UHFFFAOYSA-N
MW225.05 g/mol
LogP2.06
Rot. Bonds

About 5-iodo-2-methyl-1,3-thiazole

5-iodo-2-methyl-1,3-thiazole (PubChem CID 14601971) has the molecular formula C4H4INS and a molecular weight of 225.05 g/mol. Its IUPAC name is 5-iodo-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-iodo-2-methyl-1,3-thiazole
PubChem CID14601971
Molecular FormulaC4H4INS
Molecular Weight225.05 g/mol
Exact Mass224.91
IUPAC Name5-iodo-2-methyl-1,3-thiazole
SMILESCc1ncc(I)s1
InChIInChI=1S/C4H4INS/c1-3-6-2-4(5)7-3/h2H,1H3
InChIKeyWSPHZZQQZDQEPV-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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Related Compounds

2-Methylthiazole
CID 77129
5-(Methylthio)thiazole
CID 12264474
5-Bromo-2-methyl-1,3-thiazole
CID 13228663
5-Iodo-1,3-thiazole
CID 13662073
5-Chloro-2-methyl-1,3-thiazole
CID 13228662
2-Bromo-5-iodo-1,3-thiazole
CID 13662077
2-Methyl-5-(tributylstannyl)-1,3-thiazole
CID 46840005
5-Iodo-2-methoxy-1,3-thiazole
CID 137698983
5-Iodo-2-(trifluoromethyl)-1,3-thiazole
CID 143750797
2,3-Dimethyl-1,3-thiazol-3-ium iodide
CID 12367518
1-(5-Iodo-1,3-thiazol-2-yl)methanamine dihydrochloride
CID 165949339
5-(Trimethylstannyl)-1,3-thiazole
CID 13662071

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-methyl-1,3-thiazole?
The IUPAC name of 5-iodo-2-methyl-1,3-thiazole (CID 14601971) is 5-iodo-2-methyl-1,3-thiazole.
What is the SMILES notation for 5-iodo-2-methyl-1,3-thiazole?
The canonical SMILES for 5-iodo-2-methyl-1,3-thiazole is Cc1ncc(I)s1.
What is the InChIKey of 5-iodo-2-methyl-1,3-thiazole?
The InChIKey is WSPHZZQQZDQEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4INS/c1-3-6-2-4(5)7-3/h2H,1H3.
What are the key properties of 5-iodo-2-methyl-1,3-thiazole?
5-iodo-2-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 5-iodo-2-methyl-1,3-thiazole is sourced from PubChem (CID 14601971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).