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

C14H11N3OS — CID 4616762

IUPAC5-(3-phenoxyphenyl)-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(-c2cccc(Oc3ccccc3)c2)s1
InChIInChI=1S/C14H11N3OS/c15-14-17-16-13(19-14)10-5-4-8-12(9-10)18-11-6-2-1-3-7-11/h1-9H,(H2,15,17)
InChIKeyVBDYSFDCYGGHBA-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.58
Rot. Bonds3

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

5-(3-phenoxyphenyl)-1,3,4-thiadiazol-2-amine (PubChem CID 4616762) has the molecular formula C14H11N3OS and a molecular weight of 269.33 g/mol. Its IUPAC name is 5-(3-phenoxyphenyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(3-phenoxyphenyl)-1,3,4-thiadiazol-2-amine
PubChem CID4616762
Molecular FormulaC14H11N3OS
Molecular Weight269.33 g/mol
Exact Mass269.06
IUPAC Name5-(3-phenoxyphenyl)-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(-c2cccc(Oc3ccccc3)c2)s1
InChIInChI=1S/C14H11N3OS/c15-14-17-16-13(19-14)10-5-4-8-12(9-10)18-11-6-2-1-3-7-11/h1-9H,(H2,15,17)
InChIKeyVBDYSFDCYGGHBA-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

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Frequently Asked Questions

What is the IUPAC name of 5-(3-phenoxyphenyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(3-phenoxyphenyl)-1,3,4-thiadiazol-2-amine (CID 4616762) is 5-(3-phenoxyphenyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(3-phenoxyphenyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(3-phenoxyphenyl)-1,3,4-thiadiazol-2-amine is Nc1nnc(-c2cccc(Oc3ccccc3)c2)s1.
What is the InChIKey of 5-(3-phenoxyphenyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is VBDYSFDCYGGHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3OS/c15-14-17-16-13(19-14)10-5-4-8-12(9-10)18-11-6-2-1-3-7-11/h1-9H,(H2,15,17).
What are the key properties of 5-(3-phenoxyphenyl)-1,3,4-thiadiazol-2-amine?
5-(3-phenoxyphenyl)-1,3,4-thiadiazol-2-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 5-(3-phenoxyphenyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 4616762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).