1-(thiadiazole-5-carbonyl)piperidine-2-carbonitrile

C9H10N4OS — CID 65215353

IUPAC1-(thiadiazole-5-carbonyl)piperidine-2-carbonitrile
SMILESN#CC1CCCCN1C(=O)c1cnns1
InChIInChI=1S/C9H10N4OS/c10-5-7-3-1-2-4-13(7)9(14)8-6-11-12-15-8/h6-7H,1-4H2
InChIKeyIGUGBGVVVQWSRO-UHFFFAOYSA-N
MW222.27 g/mol
LogP1.06
Rot. Bonds1

About 1-(thiadiazole-5-carbonyl)piperidine-2-carbonitrile

1-(thiadiazole-5-carbonyl)piperidine-2-carbonitrile (PubChem CID 65215353) has the molecular formula C9H10N4OS and a molecular weight of 222.27 g/mol. Its IUPAC name is 1-(thiadiazole-5-carbonyl)piperidine-2-carbonitrile.

Molecular Properties

Compound Name1-(thiadiazole-5-carbonyl)piperidine-2-carbonitrile
PubChem CID65215353
Molecular FormulaC9H10N4OS
Molecular Weight222.27 g/mol
Exact Mass222.06
IUPAC Name1-(thiadiazole-5-carbonyl)piperidine-2-carbonitrile
SMILESN#CC1CCCCN1C(=O)c1cnns1
InChIInChI=1S/C9H10N4OS/c10-5-7-3-1-2-4-13(7)9(14)8-6-11-12-15-8/h6-7H,1-4H2
InChIKeyIGUGBGVVVQWSRO-UHFFFAOYSA-N
XLogP1.06
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(thiadiazole-5-carbonyl)piperidine-2-carbonitrile?
The IUPAC name of 1-(thiadiazole-5-carbonyl)piperidine-2-carbonitrile (CID 65215353) is 1-(thiadiazole-5-carbonyl)piperidine-2-carbonitrile.
What is the SMILES notation for 1-(thiadiazole-5-carbonyl)piperidine-2-carbonitrile?
The canonical SMILES for 1-(thiadiazole-5-carbonyl)piperidine-2-carbonitrile is N#CC1CCCCN1C(=O)c1cnns1.
What is the InChIKey of 1-(thiadiazole-5-carbonyl)piperidine-2-carbonitrile?
The InChIKey is IGUGBGVVVQWSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4OS/c10-5-7-3-1-2-4-13(7)9(14)8-6-11-12-15-8/h6-7H,1-4H2.
What are the key properties of 1-(thiadiazole-5-carbonyl)piperidine-2-carbonitrile?
1-(thiadiazole-5-carbonyl)piperidine-2-carbonitrile has a molecular weight of 222.27 g/mol, XLogP of 1.06, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiadiazole-5-carbonyl)piperidine-2-carbonitrile is sourced from PubChem (CID 65215353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).