4-[[5-(methylamino)thiadiazol-4-yl]methyl]morpholine-2-carbonitrile

C9H13N5OS — CID 79680862

IUPAC4-[[5-(methylamino)thiadiazol-4-yl]methyl]morpholine-2-carbonitrile
SMILESCNc1snnc1CN1CCOC(C#N)C1
InChIInChI=1S/C9H13N5OS/c1-11-9-8(12-13-16-9)6-14-2-3-15-7(4-10)5-14/h7,11H,2-3,5-6H2,1H3
InChIKeyVDIFRLJJFSSNNI-UHFFFAOYSA-N
MW239.30 g/mol
LogP0.30
Rot. Bonds3

About 4-[[5-(methylamino)thiadiazol-4-yl]methyl]morpholine-2-carbonitrile

4-[[5-(methylamino)thiadiazol-4-yl]methyl]morpholine-2-carbonitrile (PubChem CID 79680862) has the molecular formula C9H13N5OS and a molecular weight of 239.30 g/mol. Its IUPAC name is 4-[[5-(methylamino)thiadiazol-4-yl]methyl]morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-[[5-(methylamino)thiadiazol-4-yl]methyl]morpholine-2-carbonitrile
PubChem CID79680862
Molecular FormulaC9H13N5OS
Molecular Weight239.30 g/mol
Exact Mass239.08
IUPAC Name4-[[5-(methylamino)thiadiazol-4-yl]methyl]morpholine-2-carbonitrile
SMILESCNc1snnc1CN1CCOC(C#N)C1
InChIInChI=1S/C9H13N5OS/c1-11-9-8(12-13-16-9)6-14-2-3-15-7(4-10)5-14/h7,11H,2-3,5-6H2,1H3
InChIKeyVDIFRLJJFSSNNI-UHFFFAOYSA-N
XLogP0.30
TPSA74.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(methylamino)thiadiazol-4-yl]methyl]morpholine-2-carbonitrile?
The IUPAC name of 4-[[5-(methylamino)thiadiazol-4-yl]methyl]morpholine-2-carbonitrile (CID 79680862) is 4-[[5-(methylamino)thiadiazol-4-yl]methyl]morpholine-2-carbonitrile.
What is the SMILES notation for 4-[[5-(methylamino)thiadiazol-4-yl]methyl]morpholine-2-carbonitrile?
The canonical SMILES for 4-[[5-(methylamino)thiadiazol-4-yl]methyl]morpholine-2-carbonitrile is CNc1snnc1CN1CCOC(C#N)C1.
What is the InChIKey of 4-[[5-(methylamino)thiadiazol-4-yl]methyl]morpholine-2-carbonitrile?
The InChIKey is VDIFRLJJFSSNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5OS/c1-11-9-8(12-13-16-9)6-14-2-3-15-7(4-10)5-14/h7,11H,2-3,5-6H2,1H3.
What are the key properties of 4-[[5-(methylamino)thiadiazol-4-yl]methyl]morpholine-2-carbonitrile?
4-[[5-(methylamino)thiadiazol-4-yl]methyl]morpholine-2-carbonitrile has a molecular weight of 239.30 g/mol, XLogP of 0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(methylamino)thiadiazol-4-yl]methyl]morpholine-2-carbonitrile is sourced from PubChem (CID 79680862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).