6-methyl-1-[[5-(propylamino)thiadiazol-4-yl]methyl]piperidine-3-carboxamide

C13H23N5OS — CID 62183515

IUPAC6-methyl-1-[[5-(propylamino)thiadiazol-4-yl]methyl]piperidine-3-carboxamide
SMILESCCCNc1snnc1CN1CC(C(N)=O)CCC1C
InChIInChI=1S/C13H23N5OS/c1-3-6-15-13-11(16-17-20-13)8-18-7-10(12(14)19)5-4-9(18)2/h9-10,15H,3-8H2,1-2H3,(H2,14,19)
InChIKeyREJYQWCWSMXUOU-UHFFFAOYSA-N
MW297.43 g/mol
LogP1.45
Rot. Bonds6

About 6-methyl-1-[[5-(propylamino)thiadiazol-4-yl]methyl]piperidine-3-carboxamide

6-methyl-1-[[5-(propylamino)thiadiazol-4-yl]methyl]piperidine-3-carboxamide (PubChem CID 62183515) has the molecular formula C13H23N5OS and a molecular weight of 297.43 g/mol. Its IUPAC name is 6-methyl-1-[[5-(propylamino)thiadiazol-4-yl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-1-[[5-(propylamino)thiadiazol-4-yl]methyl]piperidine-3-carboxamide
PubChem CID62183515
Molecular FormulaC13H23N5OS
Molecular Weight297.43 g/mol
Exact Mass297.16
IUPAC Name6-methyl-1-[[5-(propylamino)thiadiazol-4-yl]methyl]piperidine-3-carboxamide
SMILESCCCNc1snnc1CN1CC(C(N)=O)CCC1C
InChIInChI=1S/C13H23N5OS/c1-3-6-15-13-11(16-17-20-13)8-18-7-10(12(14)19)5-4-9(18)2/h9-10,15H,3-8H2,1-2H3,(H2,14,19)
InChIKeyREJYQWCWSMXUOU-UHFFFAOYSA-N
XLogP1.45
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.43
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-[[5-(propylamino)thiadiazol-4-yl]methyl]piperidine-3-carboxamide?
The IUPAC name of 6-methyl-1-[[5-(propylamino)thiadiazol-4-yl]methyl]piperidine-3-carboxamide (CID 62183515) is 6-methyl-1-[[5-(propylamino)thiadiazol-4-yl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for 6-methyl-1-[[5-(propylamino)thiadiazol-4-yl]methyl]piperidine-3-carboxamide?
The canonical SMILES for 6-methyl-1-[[5-(propylamino)thiadiazol-4-yl]methyl]piperidine-3-carboxamide is CCCNc1snnc1CN1CC(C(N)=O)CCC1C.
What is the InChIKey of 6-methyl-1-[[5-(propylamino)thiadiazol-4-yl]methyl]piperidine-3-carboxamide?
The InChIKey is REJYQWCWSMXUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5OS/c1-3-6-15-13-11(16-17-20-13)8-18-7-10(12(14)19)5-4-9(18)2/h9-10,15H,3-8H2,1-2H3,(H2,14,19).
What are the key properties of 6-methyl-1-[[5-(propylamino)thiadiazol-4-yl]methyl]piperidine-3-carboxamide?
6-methyl-1-[[5-(propylamino)thiadiazol-4-yl]methyl]piperidine-3-carboxamide has a molecular weight of 297.43 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-[[5-(propylamino)thiadiazol-4-yl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 62183515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).