4-(thiadiazole-5-carbonyl)morpholine-2-carbonitrile

C8H8N4O2S — CID 78945732

IUPAC4-(thiadiazole-5-carbonyl)morpholine-2-carbonitrile
SMILESN#CC1CN(C(=O)c2cnns2)CCO1
InChIInChI=1S/C8H8N4O2S/c9-3-6-5-12(1-2-14-6)8(13)7-4-10-11-15-7/h4,6H,1-2,5H2
InChIKeyUNCQGOJVKUMWTN-UHFFFAOYSA-N
MW224.24 g/mol
LogP-0.10
Rot. Bonds1

About 4-(thiadiazole-5-carbonyl)morpholine-2-carbonitrile

4-(thiadiazole-5-carbonyl)morpholine-2-carbonitrile (PubChem CID 78945732) has the molecular formula C8H8N4O2S and a molecular weight of 224.24 g/mol. Its IUPAC name is 4-(thiadiazole-5-carbonyl)morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-(thiadiazole-5-carbonyl)morpholine-2-carbonitrile
PubChem CID78945732
Molecular FormulaC8H8N4O2S
Molecular Weight224.24 g/mol
Exact Mass224.04
IUPAC Name4-(thiadiazole-5-carbonyl)morpholine-2-carbonitrile
SMILESN#CC1CN(C(=O)c2cnns2)CCO1
InChIInChI=1S/C8H8N4O2S/c9-3-6-5-12(1-2-14-6)8(13)7-4-10-11-15-7/h4,6H,1-2,5H2
InChIKeyUNCQGOJVKUMWTN-UHFFFAOYSA-N
XLogP-0.10
TPSA79.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 5-0.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(thiadiazole-5-carbonyl)morpholine-2-carbonitrile?
The IUPAC name of 4-(thiadiazole-5-carbonyl)morpholine-2-carbonitrile (CID 78945732) is 4-(thiadiazole-5-carbonyl)morpholine-2-carbonitrile.
What is the SMILES notation for 4-(thiadiazole-5-carbonyl)morpholine-2-carbonitrile?
The canonical SMILES for 4-(thiadiazole-5-carbonyl)morpholine-2-carbonitrile is N#CC1CN(C(=O)c2cnns2)CCO1.
What is the InChIKey of 4-(thiadiazole-5-carbonyl)morpholine-2-carbonitrile?
The InChIKey is UNCQGOJVKUMWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2S/c9-3-6-5-12(1-2-14-6)8(13)7-4-10-11-15-7/h4,6H,1-2,5H2.
What are the key properties of 4-(thiadiazole-5-carbonyl)morpholine-2-carbonitrile?
4-(thiadiazole-5-carbonyl)morpholine-2-carbonitrile has a molecular weight of 224.24 g/mol, XLogP of -0.10, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(thiadiazole-5-carbonyl)morpholine-2-carbonitrile is sourced from PubChem (CID 78945732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).