1-[(5-aminothiadiazol-4-yl)methyl]-6-methylpiperidine-3-carboxamide

C10H17N5OS — CID 55046127

IUPAC1-[(5-aminothiadiazol-4-yl)methyl]-6-methylpiperidine-3-carboxamide
SMILESCC1CCC(C(N)=O)CN1Cc1nnsc1N
InChIInChI=1S/C10H17N5OS/c1-6-2-3-7(9(11)16)4-15(6)5-8-10(12)17-14-13-8/h6-7H,2-5,12H2,1H3,(H2,11,16)
InChIKeyJGZRHGCUGYNOPM-UHFFFAOYSA-N
MW255.35 g/mol
LogP0.21
Rot. Bonds3

About 1-[(5-aminothiadiazol-4-yl)methyl]-6-methylpiperidine-3-carboxamide

1-[(5-aminothiadiazol-4-yl)methyl]-6-methylpiperidine-3-carboxamide (PubChem CID 55046127) has the molecular formula C10H17N5OS and a molecular weight of 255.35 g/mol. Its IUPAC name is 1-[(5-aminothiadiazol-4-yl)methyl]-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(5-aminothiadiazol-4-yl)methyl]-6-methylpiperidine-3-carboxamide
PubChem CID55046127
Molecular FormulaC10H17N5OS
Molecular Weight255.35 g/mol
Exact Mass255.12
IUPAC Name1-[(5-aminothiadiazol-4-yl)methyl]-6-methylpiperidine-3-carboxamide
SMILESCC1CCC(C(N)=O)CN1Cc1nnsc1N
InChIInChI=1S/C10H17N5OS/c1-6-2-3-7(9(11)16)4-15(6)5-8-10(12)17-14-13-8/h6-7H,2-5,12H2,1H3,(H2,11,16)
InChIKeyJGZRHGCUGYNOPM-UHFFFAOYSA-N
XLogP0.21
TPSA98.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-aminothiadiazol-4-yl)methyl]-6-methylpiperidine-3-carboxamide?
The IUPAC name of 1-[(5-aminothiadiazol-4-yl)methyl]-6-methylpiperidine-3-carboxamide (CID 55046127) is 1-[(5-aminothiadiazol-4-yl)methyl]-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[(5-aminothiadiazol-4-yl)methyl]-6-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-[(5-aminothiadiazol-4-yl)methyl]-6-methylpiperidine-3-carboxamide is CC1CCC(C(N)=O)CN1Cc1nnsc1N.
What is the InChIKey of 1-[(5-aminothiadiazol-4-yl)methyl]-6-methylpiperidine-3-carboxamide?
The InChIKey is JGZRHGCUGYNOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5OS/c1-6-2-3-7(9(11)16)4-15(6)5-8-10(12)17-14-13-8/h6-7H,2-5,12H2,1H3,(H2,11,16).
What are the key properties of 1-[(5-aminothiadiazol-4-yl)methyl]-6-methylpiperidine-3-carboxamide?
1-[(5-aminothiadiazol-4-yl)methyl]-6-methylpiperidine-3-carboxamide has a molecular weight of 255.35 g/mol, XLogP of 0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-aminothiadiazol-4-yl)methyl]-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 55046127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).