2-(5-phenyl-1,3,4-thiadiazol-2-yl)acetonitrile

C10H7N3S — CID 8812945

IUPAC2-(5-phenyl-1,3,4-thiadiazol-2-yl)acetonitrile
SMILESN#CCc1nnc(-c2ccccc2)s1
InChIInChI=1S/C10H7N3S/c11-7-6-9-12-13-10(14-9)8-4-2-1-3-5-8/h1-5H,6H2
InChIKeyRAGGUUNNCKDMGE-UHFFFAOYSA-N
MW201.25 g/mol
LogP2.27
Rot. Bonds2

About 2-(5-phenyl-1,3,4-thiadiazol-2-yl)acetonitrile

2-(5-phenyl-1,3,4-thiadiazol-2-yl)acetonitrile (PubChem CID 8812945) has the molecular formula C10H7N3S and a molecular weight of 201.25 g/mol. Its IUPAC name is 2-(5-phenyl-1,3,4-thiadiazol-2-yl)acetonitrile.

Molecular Properties

Compound Name2-(5-phenyl-1,3,4-thiadiazol-2-yl)acetonitrile
PubChem CID8812945
Molecular FormulaC10H7N3S
Molecular Weight201.25 g/mol
Exact Mass201.04
IUPAC Name2-(5-phenyl-1,3,4-thiadiazol-2-yl)acetonitrile
SMILESN#CCc1nnc(-c2ccccc2)s1
InChIInChI=1S/C10H7N3S/c11-7-6-9-12-13-10(14-9)8-4-2-1-3-5-8/h1-5H,6H2
InChIKeyRAGGUUNNCKDMGE-UHFFFAOYSA-N
XLogP2.27
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-phenyl-1,3,4-thiadiazol-2-yl)acetonitrile?
The IUPAC name of 2-(5-phenyl-1,3,4-thiadiazol-2-yl)acetonitrile (CID 8812945) is 2-(5-phenyl-1,3,4-thiadiazol-2-yl)acetonitrile.
What is the SMILES notation for 2-(5-phenyl-1,3,4-thiadiazol-2-yl)acetonitrile?
The canonical SMILES for 2-(5-phenyl-1,3,4-thiadiazol-2-yl)acetonitrile is N#CCc1nnc(-c2ccccc2)s1.
What is the InChIKey of 2-(5-phenyl-1,3,4-thiadiazol-2-yl)acetonitrile?
The InChIKey is RAGGUUNNCKDMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3S/c11-7-6-9-12-13-10(14-9)8-4-2-1-3-5-8/h1-5H,6H2.
What are the key properties of 2-(5-phenyl-1,3,4-thiadiazol-2-yl)acetonitrile?
2-(5-phenyl-1,3,4-thiadiazol-2-yl)acetonitrile has a molecular weight of 201.25 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-phenyl-1,3,4-thiadiazol-2-yl)acetonitrile is sourced from PubChem (CID 8812945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).