3-fluoro-4-(4-methylphenyl)-1,2,5-thiadiazole

C9H7FN2S — CID 10845487

IUPAC3-fluoro-4-(4-methylphenyl)-1,2,5-thiadiazole
SMILESCc1ccc(-c2nsnc2F)cc1
InChIInChI=1S/C9H7FN2S/c1-6-2-4-7(5-3-6)8-9(10)12-13-11-8/h2-5H,1H3
InChIKeyPRVNTYYLLDDFEE-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.65
Rot. Bonds1

About 3-fluoro-4-(4-methylphenyl)-1,2,5-thiadiazole

3-fluoro-4-(4-methylphenyl)-1,2,5-thiadiazole (PubChem CID 10845487) has the molecular formula C9H7FN2S and a molecular weight of 194.23 g/mol. Its IUPAC name is 3-fluoro-4-(4-methylphenyl)-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-fluoro-4-(4-methylphenyl)-1,2,5-thiadiazole
PubChem CID10845487
Molecular FormulaC9H7FN2S
Molecular Weight194.23 g/mol
Exact Mass194.03
IUPAC Name3-fluoro-4-(4-methylphenyl)-1,2,5-thiadiazole
SMILESCc1ccc(-c2nsnc2F)cc1
InChIInChI=1S/C9H7FN2S/c1-6-2-4-7(5-3-6)8-9(10)12-13-11-8/h2-5H,1H3
InChIKeyPRVNTYYLLDDFEE-UHFFFAOYSA-N
XLogP2.65
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-Diphenyl-1,2,5-thiadiazole
CID 585569
3-Methyl-4-phenyl-1,2,5-thiadiazole
CID 12503516
Fluorophenyl-triazole
CID 129892511
3-(Fluoromethyl)-4-phenyl-1,2,5-thiadiazole 2-oxide
CID 162393144
3-Chloro-4-phenyl-1,2,5-thiadiazole
CID 2764044
3-Amino-4-phenyl-1,2,5-thiadiazole
CID 12366044
3-Fluoro-4-phenyl-1,2,5-thiadiazole
CID 13537735
4-(tert-butyl)-5-(3-fluoro-4-methylphenyl)-1H-1,2,3-triazole
CID 168266159
Chlorophenyl trifluoromethyl triazole
CID 172432291
1,2,5-Selenadiazole, 3,4-diphenyl-
CID 602988
3-(Chloromethyl)-4-phenyl-1,2,5-thiadiazole
CID 10632283
3-Methyl-4-phenyl-1,2,5-selenadiazole
CID 101663610

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(4-methylphenyl)-1,2,5-thiadiazole?
The IUPAC name of 3-fluoro-4-(4-methylphenyl)-1,2,5-thiadiazole (CID 10845487) is 3-fluoro-4-(4-methylphenyl)-1,2,5-thiadiazole.
What is the SMILES notation for 3-fluoro-4-(4-methylphenyl)-1,2,5-thiadiazole?
The canonical SMILES for 3-fluoro-4-(4-methylphenyl)-1,2,5-thiadiazole is Cc1ccc(-c2nsnc2F)cc1.
What is the InChIKey of 3-fluoro-4-(4-methylphenyl)-1,2,5-thiadiazole?
The InChIKey is PRVNTYYLLDDFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2S/c1-6-2-4-7(5-3-6)8-9(10)12-13-11-8/h2-5H,1H3.
What are the key properties of 3-fluoro-4-(4-methylphenyl)-1,2,5-thiadiazole?
3-fluoro-4-(4-methylphenyl)-1,2,5-thiadiazole has a molecular weight of 194.23 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(4-methylphenyl)-1,2,5-thiadiazole is sourced from PubChem (CID 10845487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).