2-imidazol-1-yl-5-phenyl-1,3,4-thiadiazole

C11H8N4S — CID 15455670

IUPAC2-imidazol-1-yl-5-phenyl-1,3,4-thiadiazole
SMILESc1ccc(-c2nnc(-n3ccnc3)s2)cc1
InChIInChI=1S/C11H8N4S/c1-2-4-9(5-3-1)10-13-14-11(16-10)15-7-6-12-8-15/h1-8H
InChIKeyABUNCDATOAPMHU-UHFFFAOYSA-N
MW228.28 g/mol
LogP2.39
Rot. Bonds2

About 2-imidazol-1-yl-5-phenyl-1,3,4-thiadiazole

2-imidazol-1-yl-5-phenyl-1,3,4-thiadiazole (PubChem CID 15455670) has the molecular formula C11H8N4S and a molecular weight of 228.28 g/mol. Its IUPAC name is 2-imidazol-1-yl-5-phenyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-imidazol-1-yl-5-phenyl-1,3,4-thiadiazole
PubChem CID15455670
Molecular FormulaC11H8N4S
Molecular Weight228.28 g/mol
Exact Mass228.05
IUPAC Name2-imidazol-1-yl-5-phenyl-1,3,4-thiadiazole
SMILESc1ccc(-c2nnc(-n3ccnc3)s2)cc1
InChIInChI=1S/C11H8N4S/c1-2-4-9(5-3-1)10-13-14-11(16-10)15-7-6-12-8-15/h1-8H
InChIKeyABUNCDATOAPMHU-UHFFFAOYSA-N
XLogP2.39
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-5-phenyl-1,3,4-thiadiazole?
The IUPAC name of 2-imidazol-1-yl-5-phenyl-1,3,4-thiadiazole (CID 15455670) is 2-imidazol-1-yl-5-phenyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-imidazol-1-yl-5-phenyl-1,3,4-thiadiazole?
The canonical SMILES for 2-imidazol-1-yl-5-phenyl-1,3,4-thiadiazole is c1ccc(-c2nnc(-n3ccnc3)s2)cc1.
What is the InChIKey of 2-imidazol-1-yl-5-phenyl-1,3,4-thiadiazole?
The InChIKey is ABUNCDATOAPMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4S/c1-2-4-9(5-3-1)10-13-14-11(16-10)15-7-6-12-8-15/h1-8H.
What are the key properties of 2-imidazol-1-yl-5-phenyl-1,3,4-thiadiazole?
2-imidazol-1-yl-5-phenyl-1,3,4-thiadiazole has a molecular weight of 228.28 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-5-phenyl-1,3,4-thiadiazole is sourced from PubChem (CID 15455670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).