4-methyl-1-(4-propylthiadiazole-5-carbonyl)piperidine-4-carbonitrile

C13H18N4OS — CID 107160763

IUPAC4-methyl-1-(4-propylthiadiazole-5-carbonyl)piperidine-4-carbonitrile
SMILESCCCc1nnsc1C(=O)N1CCC(C)(C#N)CC1
InChIInChI=1S/C13H18N4OS/c1-3-4-10-11(19-16-15-10)12(18)17-7-5-13(2,9-14)6-8-17/h3-8H2,1-2H3
InChIKeyZMEFECLNVCFDPY-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.26
Rot. Bonds3

About 4-methyl-1-(4-propylthiadiazole-5-carbonyl)piperidine-4-carbonitrile

4-methyl-1-(4-propylthiadiazole-5-carbonyl)piperidine-4-carbonitrile (PubChem CID 107160763) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 4-methyl-1-(4-propylthiadiazole-5-carbonyl)piperidine-4-carbonitrile.

Molecular Properties

Compound Name4-methyl-1-(4-propylthiadiazole-5-carbonyl)piperidine-4-carbonitrile
PubChem CID107160763
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name4-methyl-1-(4-propylthiadiazole-5-carbonyl)piperidine-4-carbonitrile
SMILESCCCc1nnsc1C(=O)N1CCC(C)(C#N)CC1
InChIInChI=1S/C13H18N4OS/c1-3-4-10-11(19-16-15-10)12(18)17-7-5-13(2,9-14)6-8-17/h3-8H2,1-2H3
InChIKeyZMEFECLNVCFDPY-UHFFFAOYSA-N
XLogP2.26
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(4-propylthiadiazole-5-carbonyl)piperidine-4-carbonitrile?
The IUPAC name of 4-methyl-1-(4-propylthiadiazole-5-carbonyl)piperidine-4-carbonitrile (CID 107160763) is 4-methyl-1-(4-propylthiadiazole-5-carbonyl)piperidine-4-carbonitrile.
What is the SMILES notation for 4-methyl-1-(4-propylthiadiazole-5-carbonyl)piperidine-4-carbonitrile?
The canonical SMILES for 4-methyl-1-(4-propylthiadiazole-5-carbonyl)piperidine-4-carbonitrile is CCCc1nnsc1C(=O)N1CCC(C)(C#N)CC1.
What is the InChIKey of 4-methyl-1-(4-propylthiadiazole-5-carbonyl)piperidine-4-carbonitrile?
The InChIKey is ZMEFECLNVCFDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-3-4-10-11(19-16-15-10)12(18)17-7-5-13(2,9-14)6-8-17/h3-8H2,1-2H3.
What are the key properties of 4-methyl-1-(4-propylthiadiazole-5-carbonyl)piperidine-4-carbonitrile?
4-methyl-1-(4-propylthiadiazole-5-carbonyl)piperidine-4-carbonitrile has a molecular weight of 278.38 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(4-propylthiadiazole-5-carbonyl)piperidine-4-carbonitrile is sourced from PubChem (CID 107160763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).