5-(4-Biphenylyl)-1,3,4-thiadiazol-2-amine - CAS 70057-66-8

Catalog:	BB034060
Product Name:	5-(4-Biphenylyl)-1,3,4-thiadiazol-2-amine
CAS:	70057-66-8
Synonyms:	5-(4-phenylphenyl)-1,3,4-thiadiazol-2-amine; 5-(4-phenylphenyl)-1,3,4-thiadiazol-2-amine

Technical Data

Patents

Computed Properties

IUPAC Name:	5-(4-phenylphenyl)-1,3,4-thiadiazol-2-amine
Description:	5-(4-Biphenylyl)-1,3,4-thiadiazol-2-amine (CAS# 70057-66-8) is a useful research chemical.
Molecular Weight:	253.32
Molecular Formula:	C14H11N3S
Canonical SMILES:	C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NN=C(S3)N
InChI:	InChI=1S/C14H11N3S/c15-14-17-16-13(18-14)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H2,15,17)
InChI Key:	HMBUEMMYOIVIOM-UHFFFAOYSA-N
LogP:	3.38440

Publication Number	Title	Priority Date
EP-0941236-A1	Cyclohexapeptides having antimicrobial activity	19961125
JP-2001505880-A	Cyclic hexapeptide with antimicrobial activity	19961125
US-2002193560-A1	Cyclohexapeptides having antimicrobial activity	19961125
US-6743776-B2	Cyclohexapeptides having antimicrobial activity	19961125
WO-9823637-A1	Cyclohexapeptides having antimicrobial activity	19961125

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Related Functional Groups

Oxadiazole/Thiadiazole

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Complexity:	260
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	253.06736854
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	253.06736854
Rotatable Bond Count:	2
Topological Polar Surface Area:	80
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.3