5-[(2,3-difluorophenyl)methyl]-3-iodo-1,2,4-thiadiazole

C9H5F2IN2S — CID 102943566

IUPAC5-[(2,3-difluorophenyl)methyl]-3-iodo-1,2,4-thiadiazole
SMILESFc1cccc(Cc2nc(I)ns2)c1F
InChIInChI=1S/C9H5F2IN2S/c10-6-3-1-2-5(8(6)11)4-7-13-9(12)14-15-7/h1-3H,4H2
InChIKeyBQUHKRHSJRNRRU-UHFFFAOYSA-N
MW338.12 g/mol
LogP3.01
Rot. Bonds2

About 5-[(2,3-difluorophenyl)methyl]-3-iodo-1,2,4-thiadiazole

5-[(2,3-difluorophenyl)methyl]-3-iodo-1,2,4-thiadiazole (PubChem CID 102943566) has the molecular formula C9H5F2IN2S and a molecular weight of 338.12 g/mol. Its IUPAC name is 5-[(2,3-difluorophenyl)methyl]-3-iodo-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-[(2,3-difluorophenyl)methyl]-3-iodo-1,2,4-thiadiazole
PubChem CID102943566
Molecular FormulaC9H5F2IN2S
Molecular Weight338.12 g/mol
Exact Mass337.92
IUPAC Name5-[(2,3-difluorophenyl)methyl]-3-iodo-1,2,4-thiadiazole
SMILESFc1cccc(Cc2nc(I)ns2)c1F
InChIInChI=1S/C9H5F2IN2S/c10-6-3-1-2-5(8(6)11)4-7-13-9(12)14-15-7/h1-3H,4H2
InChIKeyBQUHKRHSJRNRRU-UHFFFAOYSA-N
XLogP3.01
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.12
LogP ≤ 53.01
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

3-iodo-5-[(3-methylphenyl)methyl]-1,2,4-thiadiazole
CID 102943686
1,2-difluoro-3-(iodomethyl)benzene
CID 64789130
(2,3-difluorophenyl)methanamine
CID 2736941
5-[(2,3-difluorophenyl)methyl]-2-methyl-1,2,4-triazol-3-amine
CID 104605153
1-ethyl-2,3-difluorobenzene;methanamine
CID 143205868
3-chloro-5-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-thiadiazole
CID 102944096
2-(2,3-difluorophenyl)acetic acid;hydrochloride
CID 172702403
3-bromo-5-(naphthalen-1-ylmethyl)-1,2,4-thiadiazole
CID 102943471
N-[(2,3-difluorophenyl)methyl]-1-phenylmethanamine
CID 43424966
1,2-difluoro-3-(2-fluoro-5-iodophenyl)benzene
CID 134630207
3,5-dibromo-1-[(2,3-difluorophenyl)methyl]-1,2,4-triazole
CID 50999990
1,2,3-trifluorobenzene
CID 15147

Frequently Asked Questions

What is the IUPAC name of 5-[(2,3-difluorophenyl)methyl]-3-iodo-1,2,4-thiadiazole?
The IUPAC name of 5-[(2,3-difluorophenyl)methyl]-3-iodo-1,2,4-thiadiazole (CID 102943566) is 5-[(2,3-difluorophenyl)methyl]-3-iodo-1,2,4-thiadiazole.
What is the SMILES notation for 5-[(2,3-difluorophenyl)methyl]-3-iodo-1,2,4-thiadiazole?
The canonical SMILES for 5-[(2,3-difluorophenyl)methyl]-3-iodo-1,2,4-thiadiazole is Fc1cccc(Cc2nc(I)ns2)c1F.
What is the InChIKey of 5-[(2,3-difluorophenyl)methyl]-3-iodo-1,2,4-thiadiazole?
The InChIKey is BQUHKRHSJRNRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F2IN2S/c10-6-3-1-2-5(8(6)11)4-7-13-9(12)14-15-7/h1-3H,4H2.
What are the key properties of 5-[(2,3-difluorophenyl)methyl]-3-iodo-1,2,4-thiadiazole?
5-[(2,3-difluorophenyl)methyl]-3-iodo-1,2,4-thiadiazole has a molecular weight of 338.12 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,3-difluorophenyl)methyl]-3-iodo-1,2,4-thiadiazole is sourced from PubChem (CID 102943566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).