4-[(5-amino-1,3,4-thiadiazol-2-yl)oxymethyl]benzonitrile

C10H8N4OS — CID 169244789

IUPAC4-[(5-amino-1,3,4-thiadiazol-2-yl)oxymethyl]benzonitrile
SMILESN#Cc1ccc(COc2nnc(N)s2)cc1
InChIInChI=1S/C10H8N4OS/c11-5-7-1-3-8(4-2-7)6-15-10-14-13-9(12)16-10/h1-4H,6H2,(H2,12,13)
InChIKeyWDMCWFKFMHPPIP-UHFFFAOYSA-N
MW232.27 g/mol
LogP1.57
Rot. Bonds3

About 4-[(5-amino-1,3,4-thiadiazol-2-yl)oxymethyl]benzonitrile

4-[(5-amino-1,3,4-thiadiazol-2-yl)oxymethyl]benzonitrile (PubChem CID 169244789) has the molecular formula C10H8N4OS and a molecular weight of 232.27 g/mol. Its IUPAC name is 4-[(5-amino-1,3,4-thiadiazol-2-yl)oxymethyl]benzonitrile.

Molecular Properties

Compound Name4-[(5-amino-1,3,4-thiadiazol-2-yl)oxymethyl]benzonitrile
PubChem CID169244789
Molecular FormulaC10H8N4OS
Molecular Weight232.27 g/mol
Exact Mass232.04
IUPAC Name4-[(5-amino-1,3,4-thiadiazol-2-yl)oxymethyl]benzonitrile
SMILESN#Cc1ccc(COc2nnc(N)s2)cc1
InChIInChI=1S/C10H8N4OS/c11-5-7-1-3-8(4-2-7)6-15-10-14-13-9(12)16-10/h1-4H,6H2,(H2,12,13)
InChIKeyWDMCWFKFMHPPIP-UHFFFAOYSA-N
XLogP1.57
TPSA84.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.27
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-amino-1,3,4-thiadiazol-2-yl)oxymethyl]benzonitrile?
The IUPAC name of 4-[(5-amino-1,3,4-thiadiazol-2-yl)oxymethyl]benzonitrile (CID 169244789) is 4-[(5-amino-1,3,4-thiadiazol-2-yl)oxymethyl]benzonitrile.
What is the SMILES notation for 4-[(5-amino-1,3,4-thiadiazol-2-yl)oxymethyl]benzonitrile?
The canonical SMILES for 4-[(5-amino-1,3,4-thiadiazol-2-yl)oxymethyl]benzonitrile is N#Cc1ccc(COc2nnc(N)s2)cc1.
What is the InChIKey of 4-[(5-amino-1,3,4-thiadiazol-2-yl)oxymethyl]benzonitrile?
The InChIKey is WDMCWFKFMHPPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4OS/c11-5-7-1-3-8(4-2-7)6-15-10-14-13-9(12)16-10/h1-4H,6H2,(H2,12,13).
What are the key properties of 4-[(5-amino-1,3,4-thiadiazol-2-yl)oxymethyl]benzonitrile?
4-[(5-amino-1,3,4-thiadiazol-2-yl)oxymethyl]benzonitrile has a molecular weight of 232.27 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-amino-1,3,4-thiadiazol-2-yl)oxymethyl]benzonitrile is sourced from PubChem (CID 169244789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).