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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Related Compounds

1-phenoxy-4-(3-phenylphenoxy)benzene
CID 14832823
2-[3-[3-(2-aminophenyl)phenoxy]phenyl]aniline
CID 66972301
4-[[(4-carboxyphenyl)methyl-[5-(3-phenoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]methyl]benzoic acid
CID 59994257
1-[2-(3-phenoxyphenyl)-1,3-thiazol-5-yl]ethanone
CID 62652088
hydroperoxy-oxido-oxophosphanium;molecular hydrogen;5-phenyl-1,3,4-thiadiazol-2-amine
CID 161469949
6-(3-phenoxyphenyl)pyrimidin-4-amine
CID 152697085
5-(5-amino-1,3,4-thiadiazol-2-yl)-3-(3-methoxyphenyl)-1H-pyridazin-6-one
CID 82445927
5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 692882
6-(3-phenoxyphenyl)-4,5-dihydropyridazin-3-amine
CID 64690526
3-(3-phenoxyphenoxy)aniline
CID 68727404
2-[4-[3-(2-aminophenoxy)phenoxy]phenoxy]aniline
CID 22338470
2-[4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155050379

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).