3-(3-phenoxyphenyl)-1,2,4-thiadiazol-5-amine

C14H11N3OS — CID 43556136

IUPAC3-(3-phenoxyphenyl)-1,2,4-thiadiazol-5-amine
SMILESNc1nc(-c2cccc(Oc3ccccc3)c2)ns1
InChIInChI=1S/C14H11N3OS/c15-14-16-13(17-19-14)10-5-4-8-12(9-10)18-11-6-2-1-3-7-11/h1-9H,(H2,15,16,17)
InChIKeyZAIUMGPYWKFFGO-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.58
Rot. Bonds3

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

3-(3-phenoxyphenyl)-1,2,4-thiadiazol-5-amine (PubChem CID 43556136) has the molecular formula C14H11N3OS and a molecular weight of 269.33 g/mol. Its IUPAC name is 3-(3-phenoxyphenyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(3-phenoxyphenyl)-1,2,4-thiadiazol-5-amine
PubChem CID43556136
Molecular FormulaC14H11N3OS
Molecular Weight269.33 g/mol
Exact Mass269.06
IUPAC Name3-(3-phenoxyphenyl)-1,2,4-thiadiazol-5-amine
SMILESNc1nc(-c2cccc(Oc3ccccc3)c2)ns1
InChIInChI=1S/C14H11N3OS/c15-14-16-13(17-19-14)10-5-4-8-12(9-10)18-11-6-2-1-3-7-11/h1-9H,(H2,15,16,17)
InChIKeyZAIUMGPYWKFFGO-UHFFFAOYSA-N
XLogP3.58
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(3-phenoxyphenyl)-1,2,4-thiadiazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-Bis(3-methoxyphenyl)-1,2,4-thiadiazole
CID 56837846
3,5-Bis(4-methoxyphenyl)-1,2,4-thiadiazole
CID 596715
5-[4-[[3-(Trifluoromethyl)phenoxy]methyl]phenyl]-1,2,4-thiadiazole
CID 2739733
3-(3-Methoxyphenyl)-1,2,4-thiadiazol-5-amine
CID 43556066
3-(4-Methoxyphenyl)-1,2,4-thiadiazol-5-amine
CID 16446930
5-(4-Methoxyphenoxy)-3-phenyl-1,2,4-thiadiazole
CID 2810751
5-Phenoxy-3-phenyl-1,2,4-thiadiazole
CID 86254361
5-(4'-Methoxy)phenyl-1,2,4-thiadiazole
CID 141407651
3-(3-Methoxyphenyl)-2-phenyl-1,2,4-thiadiazol-2-ium-5-amine
CID 509155
1,2,4-Thiadiazolium, 5-amino-3-phenyl-2-[[3-(phenylmethoxy)phenyl]methyl]-
CID 509170
3,3,3-trifluoro-N-[3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]propanamide
CID 53613183
3-[3-(Difluoromethoxy)phenyl]-5-methyl-1,2,4-thiadiazole
CID 20595456

Frequently Asked Questions

What is the IUPAC name of 3-(3-phenoxyphenyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(3-phenoxyphenyl)-1,2,4-thiadiazol-5-amine (CID 43556136) is 3-(3-phenoxyphenyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(3-phenoxyphenyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(3-phenoxyphenyl)-1,2,4-thiadiazol-5-amine is Nc1nc(-c2cccc(Oc3ccccc3)c2)ns1.
What is the InChIKey of 3-(3-phenoxyphenyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is ZAIUMGPYWKFFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3OS/c15-14-16-13(17-19-14)10-5-4-8-12(9-10)18-11-6-2-1-3-7-11/h1-9H,(H2,15,16,17).
What are the key properties of 3-(3-phenoxyphenyl)-1,2,4-thiadiazol-5-amine?
3-(3-phenoxyphenyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 269.33 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenoxyphenyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 43556136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).