2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-5-thiophen-2-yl-1,3,4-oxadiazole

C16H11N3OS3 — CID 2085549

IUPAC2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESc1ccc(-c2nc(CSc3nnc(-c4cccs4)o3)cs2)cc1
InChIInChI=1S/C16H11N3OS3/c1-2-5-11(6-3-1)15-17-12(9-22-15)10-23-16-19-18-14(20-16)13-7-4-8-21-13/h1-9H,10H2
InChIKeyKMFIACHVJUAGQB-UHFFFAOYSA-N
MW357.49 g/mol
LogP5.21
Rot. Bonds5

About 2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-5-thiophen-2-yl-1,3,4-oxadiazole

2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-5-thiophen-2-yl-1,3,4-oxadiazole (PubChem CID 2085549) has the molecular formula C16H11N3OS3 and a molecular weight of 357.49 g/mol. Its IUPAC name is 2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-5-thiophen-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-5-thiophen-2-yl-1,3,4-oxadiazole
PubChem CID2085549
Molecular FormulaC16H11N3OS3
Molecular Weight357.49 g/mol
Exact Mass357.01
IUPAC Name2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESc1ccc(-c2nc(CSc3nnc(-c4cccs4)o3)cs2)cc1
InChIInChI=1S/C16H11N3OS3/c1-2-5-11(6-3-1)15-17-12(9-22-15)10-23-16-19-18-14(20-16)13-7-4-8-21-13/h1-9H,10H2
InChIKeyKMFIACHVJUAGQB-UHFFFAOYSA-N
XLogP5.21
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.49
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-5-thiophen-2-yl-1,3,4-oxadiazole (CID 2085549) is 2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-5-thiophen-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-5-thiophen-2-yl-1,3,4-oxadiazole is c1ccc(-c2nc(CSc3nnc(-c4cccs4)o3)cs2)cc1.
What is the InChIKey of 2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The InChIKey is KMFIACHVJUAGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3OS3/c1-2-5-11(6-3-1)15-17-12(9-22-15)10-23-16-19-18-14(20-16)13-7-4-8-21-13/h1-9H,10H2.
What are the key properties of 2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-5-thiophen-2-yl-1,3,4-oxadiazole?
2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-5-thiophen-2-yl-1,3,4-oxadiazole has a molecular weight of 357.49 g/mol, XLogP of 5.21, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-5-thiophen-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 2085549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).