6-fluoro-1-methyl-[1,3]thiazolo[3,2-a]benzimidazole;hydroiodide

C10H8FIN2S — CID 173078931

IUPAC6-fluoro-1-methyl-[1,3]thiazolo[3,2-a]benzimidazole;hydroiodide
SMILESCc1csc2nc3cc(F)ccc3n12.I
InChIInChI=1S/C10H7FN2S.HI/c1-6-5-14-10-12-8-4-7(11)2-3-9(8)13(6)10;/h2-5H,1H3;1H
InChIKeyFIWBJMSGHVKBGK-UHFFFAOYSA-N
MW334.16 g/mol
LogP3.61
Rot. Bonds

About 6-fluoro-1-methyl-[1,3]thiazolo[3,2-a]benzimidazole;hydroiodide

6-fluoro-1-methyl-[1,3]thiazolo[3,2-a]benzimidazole;hydroiodide (PubChem CID 173078931) has the molecular formula C10H8FIN2S and a molecular weight of 334.16 g/mol. Its IUPAC name is 6-fluoro-1-methyl-[1,3]thiazolo[3,2-a]benzimidazole;hydroiodide.

Molecular Properties

Compound Name6-fluoro-1-methyl-[1,3]thiazolo[3,2-a]benzimidazole;hydroiodide
PubChem CID173078931
Molecular FormulaC10H8FIN2S
Molecular Weight334.16 g/mol
Exact Mass333.94
IUPAC Name6-fluoro-1-methyl-[1,3]thiazolo[3,2-a]benzimidazole;hydroiodide
SMILESCc1csc2nc3cc(F)ccc3n12.I
InChIInChI=1S/C10H7FN2S.HI/c1-6-5-14-10-12-8-4-7(11)2-3-9(8)13(6)10;/h2-5H,1H3;1H
InChIKeyFIWBJMSGHVKBGK-UHFFFAOYSA-N
XLogP3.61
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.16
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(4-fluorophenyl)-3,5-dimethylimidazo[2,1-b][1,3]thiazole
CID 113225126
5-fluoro-11-methyl-13-thia-10,15-diazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,11,14-hexaene
CID 116532607
N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3,4-difluoroaniline
CID 43761570
2-[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 39194944
7-(2-aminoethyl)-6-(3-fluorophenyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 122691061
6-(2,4-difluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole
CID 115281760
5-fluoro-2-iodo-1-methylbenzimidazole
CID 68858262
7,8-dichloro-3-methyl-[1,3]thiazino[3,2-a]benzimidazol-4-one
CID 132596865
7-(1-aminoethyl)-6-(3,4-difluorophenyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 58111403
6-(3-fluorophenyl)-7-[(1S)-1-hydrazinylethyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 167431851
tert-butyl-[(1S)-1-[6-(3-fluorophenyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl]ethyl]carbamic acid
CID 150361459
ethyl 2-(5-fluoro-1-methylbenzimidazol-2-yl)acetate
CID 79474236

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-methyl-[1,3]thiazolo[3,2-a]benzimidazole;hydroiodide?
The IUPAC name of 6-fluoro-1-methyl-[1,3]thiazolo[3,2-a]benzimidazole;hydroiodide (CID 173078931) is 6-fluoro-1-methyl-[1,3]thiazolo[3,2-a]benzimidazole;hydroiodide.
What is the SMILES notation for 6-fluoro-1-methyl-[1,3]thiazolo[3,2-a]benzimidazole;hydroiodide?
The canonical SMILES for 6-fluoro-1-methyl-[1,3]thiazolo[3,2-a]benzimidazole;hydroiodide is Cc1csc2nc3cc(F)ccc3n12.I.
What is the InChIKey of 6-fluoro-1-methyl-[1,3]thiazolo[3,2-a]benzimidazole;hydroiodide?
The InChIKey is FIWBJMSGHVKBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2S.HI/c1-6-5-14-10-12-8-4-7(11)2-3-9(8)13(6)10;/h2-5H,1H3;1H.
What are the key properties of 6-fluoro-1-methyl-[1,3]thiazolo[3,2-a]benzimidazole;hydroiodide?
6-fluoro-1-methyl-[1,3]thiazolo[3,2-a]benzimidazole;hydroiodide has a molecular weight of 334.16 g/mol, XLogP of 3.61, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-methyl-[1,3]thiazolo[3,2-a]benzimidazole;hydroiodide is sourced from PubChem (CID 173078931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).