N-methyl-5-piperidin-1-ylthiadiazole-4-carboxamide

C9H14N4OS — CID 1499017

IUPACN-methyl-5-piperidin-1-ylthiadiazole-4-carboxamide
SMILESCNC(=O)c1nnsc1N1CCCCC1
InChIInChI=1S/C9H14N4OS/c1-10-8(14)7-9(15-12-11-7)13-5-3-2-4-6-13/h2-6H2,1H3,(H,10,14)
InChIKeyDVFDZMQFDMYZCC-UHFFFAOYSA-N
MW226.30 g/mol
LogP0.89
Rot. Bonds2

About N-methyl-5-piperidin-1-ylthiadiazole-4-carboxamide

N-methyl-5-piperidin-1-ylthiadiazole-4-carboxamide (PubChem CID 1499017) has the molecular formula C9H14N4OS and a molecular weight of 226.30 g/mol. Its IUPAC name is N-methyl-5-piperidin-1-ylthiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-5-piperidin-1-ylthiadiazole-4-carboxamide
PubChem CID1499017
Molecular FormulaC9H14N4OS
Molecular Weight226.30 g/mol
Exact Mass226.09
IUPAC NameN-methyl-5-piperidin-1-ylthiadiazole-4-carboxamide
SMILESCNC(=O)c1nnsc1N1CCCCC1
InChIInChI=1S/C9H14N4OS/c1-10-8(14)7-9(15-12-11-7)13-5-3-2-4-6-13/h2-6H2,1H3,(H,10,14)
InChIKeyDVFDZMQFDMYZCC-UHFFFAOYSA-N
XLogP0.89
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-piperidin-1-ylthiadiazole-4-carboxamide?
The IUPAC name of N-methyl-5-piperidin-1-ylthiadiazole-4-carboxamide (CID 1499017) is N-methyl-5-piperidin-1-ylthiadiazole-4-carboxamide.
What is the SMILES notation for N-methyl-5-piperidin-1-ylthiadiazole-4-carboxamide?
The canonical SMILES for N-methyl-5-piperidin-1-ylthiadiazole-4-carboxamide is CNC(=O)c1nnsc1N1CCCCC1.
What is the InChIKey of N-methyl-5-piperidin-1-ylthiadiazole-4-carboxamide?
The InChIKey is DVFDZMQFDMYZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4OS/c1-10-8(14)7-9(15-12-11-7)13-5-3-2-4-6-13/h2-6H2,1H3,(H,10,14).
What are the key properties of N-methyl-5-piperidin-1-ylthiadiazole-4-carboxamide?
N-methyl-5-piperidin-1-ylthiadiazole-4-carboxamide has a molecular weight of 226.30 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-piperidin-1-ylthiadiazole-4-carboxamide is sourced from PubChem (CID 1499017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).