4-phenyl-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1,3-thiazol-2-amine

C17H12N4OS2 — CID 631767

IUPAC4-phenyl-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1,3-thiazol-2-amine
SMILESNc1nc(-c2ccccc2)c(Sc2nnc(-c3ccccc3)o2)s1
InChIInChI=1S/C17H12N4OS2/c18-16-19-13(11-7-3-1-4-8-11)15(23-16)24-17-21-20-14(22-17)12-9-5-2-6-10-12/h1-10H,(H2,18,19)
InChIKeyZIIUVAHWCZURFL-UHFFFAOYSA-N
MW352.44 g/mol
LogP4.59
Rot. Bonds4

About 4-phenyl-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1,3-thiazol-2-amine

4-phenyl-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1,3-thiazol-2-amine (PubChem CID 631767) has the molecular formula C17H12N4OS2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 4-phenyl-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-phenyl-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1,3-thiazol-2-amine
PubChem CID631767
Molecular FormulaC17H12N4OS2
Molecular Weight352.44 g/mol
Exact Mass352.05
IUPAC Name4-phenyl-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1,3-thiazol-2-amine
SMILESNc1nc(-c2ccccc2)c(Sc2nnc(-c3ccccc3)o2)s1
InChIInChI=1S/C17H12N4OS2/c18-16-19-13(11-7-3-1-4-8-11)15(23-16)24-17-21-20-14(22-17)12-9-5-2-6-10-12/h1-10H,(H2,18,19)
InChIKeyZIIUVAHWCZURFL-UHFFFAOYSA-N
XLogP4.59
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-phenyl-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1,3-thiazol-2-amine (CID 631767) is 4-phenyl-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-phenyl-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-phenyl-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1,3-thiazol-2-amine is Nc1nc(-c2ccccc2)c(Sc2nnc(-c3ccccc3)o2)s1.
What is the InChIKey of 4-phenyl-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1,3-thiazol-2-amine?
The InChIKey is ZIIUVAHWCZURFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4OS2/c18-16-19-13(11-7-3-1-4-8-11)15(23-16)24-17-21-20-14(22-17)12-9-5-2-6-10-12/h1-10H,(H2,18,19).
What are the key properties of 4-phenyl-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1,3-thiazol-2-amine?
4-phenyl-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1,3-thiazol-2-amine has a molecular weight of 352.44 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 631767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).