1-(2-ethylimidazo[2,1-b][1,3]thiazol-6-yl)-2-iodopropan-1-one

C10H11IN2OS — CID 134578269

IUPAC1-(2-ethylimidazo[2,1-b][1,3]thiazol-6-yl)-2-iodopropan-1-one
SMILESCCc1cn2cc(C(=O)C(C)I)nc2s1
InChIInChI=1S/C10H11IN2OS/c1-3-7-4-13-5-8(9(14)6(2)11)12-10(13)15-7/h4-6H,3H2,1-2H3
InChIKeyYFFDBYYOYLLYQE-UHFFFAOYSA-N
MW334.18 g/mol
LogP2.96
Rot. Bonds3

About 1-(2-ethylimidazo[2,1-b][1,3]thiazol-6-yl)-2-iodopropan-1-one

1-(2-ethylimidazo[2,1-b][1,3]thiazol-6-yl)-2-iodopropan-1-one (PubChem CID 134578269) has the molecular formula C10H11IN2OS and a molecular weight of 334.18 g/mol. Its IUPAC name is 1-(2-ethylimidazo[2,1-b][1,3]thiazol-6-yl)-2-iodopropan-1-one.

Molecular Properties

Compound Name1-(2-ethylimidazo[2,1-b][1,3]thiazol-6-yl)-2-iodopropan-1-one
PubChem CID134578269
Molecular FormulaC10H11IN2OS
Molecular Weight334.18 g/mol
Exact Mass333.96
IUPAC Name1-(2-ethylimidazo[2,1-b][1,3]thiazol-6-yl)-2-iodopropan-1-one
SMILESCCc1cn2cc(C(=O)C(C)I)nc2s1
InChIInChI=1S/C10H11IN2OS/c1-3-7-4-13-5-8(9(14)6(2)11)12-10(13)15-7/h4-6H,3H2,1-2H3
InChIKeyYFFDBYYOYLLYQE-UHFFFAOYSA-N
XLogP2.96
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.18
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-Trifluoroacetyl-2-(tri-n-butylstannyl)imidazo[5,1-b]thiazole
CID 23449202
1-[2-(Trifluoromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]ethanone
CID 121431757
1-[5-Iodo-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]ethanone
CID 121431761
1-[3-Methyl-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]ethanone
CID 121431763
2-Methyl-1-[3-methyl-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]prop-2-en-1-one
CID 123213225
1-[5-Methyl-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]but-2-en-1-one
CID 123287426
1-[2-(Trifluoromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]but-2-en-1-one
CID 123839300
1-(6-Methylimidazo[2,1-b][1,3]thiazol-5-yl)ethanone
CID 5056872
1-(2,6-Dimethylimidazo[2,1-b][1,3]thiazol-5-yl)ethanone
CID 15026033
2,2,2-Trifluoro-1-imidazo[2,1-b][1,3]thiazol-5-ylethanone
CID 4228147
(3-Methylimidazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782625
[1-(2-Aminoethyl)imidazol-4-yl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 107501408

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylimidazo[2,1-b][1,3]thiazol-6-yl)-2-iodopropan-1-one?
The IUPAC name of 1-(2-ethylimidazo[2,1-b][1,3]thiazol-6-yl)-2-iodopropan-1-one (CID 134578269) is 1-(2-ethylimidazo[2,1-b][1,3]thiazol-6-yl)-2-iodopropan-1-one.
What is the SMILES notation for 1-(2-ethylimidazo[2,1-b][1,3]thiazol-6-yl)-2-iodopropan-1-one?
The canonical SMILES for 1-(2-ethylimidazo[2,1-b][1,3]thiazol-6-yl)-2-iodopropan-1-one is CCc1cn2cc(C(=O)C(C)I)nc2s1.
What is the InChIKey of 1-(2-ethylimidazo[2,1-b][1,3]thiazol-6-yl)-2-iodopropan-1-one?
The InChIKey is YFFDBYYOYLLYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11IN2OS/c1-3-7-4-13-5-8(9(14)6(2)11)12-10(13)15-7/h4-6H,3H2,1-2H3.
What are the key properties of 1-(2-ethylimidazo[2,1-b][1,3]thiazol-6-yl)-2-iodopropan-1-one?
1-(2-ethylimidazo[2,1-b][1,3]thiazol-6-yl)-2-iodopropan-1-one has a molecular weight of 334.18 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylimidazo[2,1-b][1,3]thiazol-6-yl)-2-iodopropan-1-one is sourced from PubChem (CID 134578269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).