5-(2-fluoro-4-methoxyphenyl)-1,2,4-thiadiazol-3-amine

C9H8FN3OS — CID 102885475

IUPAC5-(2-fluoro-4-methoxyphenyl)-1,2,4-thiadiazol-3-amine
SMILESCOc1ccc(-c2nc(N)ns2)c(F)c1
InChIInChI=1S/C9H8FN3OS/c1-14-5-2-3-6(7(10)4-5)8-12-9(11)13-15-8/h2-4H,1H3,(H2,11,13)
InChIKeyGMEGRRSKBUCBCL-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.93
Rot. Bonds2

About 5-(2-fluoro-4-methoxyphenyl)-1,2,4-thiadiazol-3-amine

5-(2-fluoro-4-methoxyphenyl)-1,2,4-thiadiazol-3-amine (PubChem CID 102885475) has the molecular formula C9H8FN3OS and a molecular weight of 225.25 g/mol. Its IUPAC name is 5-(2-fluoro-4-methoxyphenyl)-1,2,4-thiadiazol-3-amine.

Molecular Properties

Compound Name5-(2-fluoro-4-methoxyphenyl)-1,2,4-thiadiazol-3-amine
PubChem CID102885475
Molecular FormulaC9H8FN3OS
Molecular Weight225.25 g/mol
Exact Mass225.04
IUPAC Name5-(2-fluoro-4-methoxyphenyl)-1,2,4-thiadiazol-3-amine
SMILESCOc1ccc(-c2nc(N)ns2)c(F)c1
InChIInChI=1S/C9H8FN3OS/c1-14-5-2-3-6(7(10)4-5)8-12-9(11)13-15-8/h2-4H,1H3,(H2,11,13)
InChIKeyGMEGRRSKBUCBCL-UHFFFAOYSA-N
XLogP1.93
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-4-methoxyaniline
CID 3756383
4-(2-fluoro-4-methoxyphenyl)pyrimidin-2-amine
CID 115505211
2-[2-(2-fluoro-4-methoxyphenyl)-1,3-thiazol-4-yl]ethanamine
CID 81309552
4-(2-fluoro-4-methoxyphenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 102882416
2-(2-fluoro-4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 81303466
2-(2-fluoro-4-methoxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 81301971
1-[2-(2-fluoro-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 81305150
4-(2-fluoro-4-methoxyphenyl)-1-methylpyrazol-3-amine
CID 171382899
2-(2-fluoro-4-methoxyphenyl)-4-(trifluoromethoxy)aniline
CID 172676520
N-[[2-(2-fluoro-4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 81303969
4-ethyl-2-(2-fluoro-4-methoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 104838429
2-fluoro-1-(4-fluorophenyl)-4-methoxybenzene
CID 46312221

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-4-methoxyphenyl)-1,2,4-thiadiazol-3-amine?
The IUPAC name of 5-(2-fluoro-4-methoxyphenyl)-1,2,4-thiadiazol-3-amine (CID 102885475) is 5-(2-fluoro-4-methoxyphenyl)-1,2,4-thiadiazol-3-amine.
What is the SMILES notation for 5-(2-fluoro-4-methoxyphenyl)-1,2,4-thiadiazol-3-amine?
The canonical SMILES for 5-(2-fluoro-4-methoxyphenyl)-1,2,4-thiadiazol-3-amine is COc1ccc(-c2nc(N)ns2)c(F)c1.
What is the InChIKey of 5-(2-fluoro-4-methoxyphenyl)-1,2,4-thiadiazol-3-amine?
The InChIKey is GMEGRRSKBUCBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3OS/c1-14-5-2-3-6(7(10)4-5)8-12-9(11)13-15-8/h2-4H,1H3,(H2,11,13).
What are the key properties of 5-(2-fluoro-4-methoxyphenyl)-1,2,4-thiadiazol-3-amine?
5-(2-fluoro-4-methoxyphenyl)-1,2,4-thiadiazol-3-amine has a molecular weight of 225.25 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-4-methoxyphenyl)-1,2,4-thiadiazol-3-amine is sourced from PubChem (CID 102885475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).